USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 655 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 41 MET CE :methyl 178:sc=-0.00968 (180deg=-0.0166) USER MOD Set 1.2: A 57 ASN : amide:sc= 1.02 K(o=1,f=-0.74!) USER MOD Single : A 3 GLN : amide:sc= -0.483 K(o=-0.48,f=0.14) USER MOD Single : A 5 LYS NZ :NH3+ -163:sc= -0.0643 (180deg=-0.32) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.00411 USER MOD Single : A 8 LYS NZ :NH3+ -165:sc= 1.21 (180deg=0.932) USER MOD Single : A 12 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 13 GLN : amide:sc= -0.458 X(o=-0.46,f=-0.15) USER MOD Single : A 18 ASN : amide:sc= 0.95 K(o=0.95,f=-1.4!) USER MOD Single : A 21 GLN : amide:sc= 0.0724 X(o=0.072,f=-0.074) USER MOD Single : A 28 GLN : amide:sc= -0.381 X(o=-0.38,f=-0.37) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 0.905 K(o=0.9,f=-1) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0571) USER MOD Single : A 52 GLN : amide:sc= -0.248 X(o=-0.25,f=-0.55) USER MOD Single : A 53 LYS NZ :NH3+ 157:sc= 0.235 (180deg=-0.831!) USER MOD Single : A 56 ASN : amide:sc= 1.13 K(o=1.1,f=-0.16) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -1.23 K(o=-1.2,f=-2.4) USER MOD Single : A 60 SER OG : rot 70:sc= 0.535 USER MOD Single : A 65 ASN : amide:sc= 0.102 K(o=0.1,f=-3.3!) USER MOD Single : A 68 SER OG : rot -88:sc= 0.782 USER MOD Single : A 72 GLN : amide:sc= -0.0662 X(o=-0.066,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl -163:sc= -1.84 (180deg=-2.31) USER MOD Single : A 78 MET CE :methyl -163:sc= 0 (180deg=-0.151) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=-0.099) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 32 N GLN A 3 -2.644 11.685 9.907 1.00 62.41 N ATOM 33 CA GLN A 3 -2.539 11.729 8.450 1.00 13.01 C ATOM 34 C GLN A 3 -3.019 10.428 7.808 1.00 21.32 C ATOM 35 O GLN A 3 -3.458 10.432 6.664 1.00 44.35 O ATOM 36 CB GLN A 3 -1.100 12.024 8.017 1.00 34.33 C ATOM 37 CG GLN A 3 -0.542 13.308 8.607 1.00 3.25 C ATOM 38 CD GLN A 3 0.713 13.787 7.901 1.00 33.35 C ATOM 39 OE1 GLN A 3 0.998 14.983 7.865 1.00 13.11 O ATOM 40 NE2 GLN A 3 1.461 12.863 7.318 1.00 33.23 N ATOM 0 HA GLN A 3 -3.187 12.535 8.106 1.00 13.01 H new ATOM 0 HB2 GLN A 3 -0.462 11.191 8.311 1.00 34.33 H new ATOM 0 HB3 GLN A 3 -1.061 12.086 6.929 1.00 34.33 H new ATOM 0 HG2 GLN A 3 -1.303 14.087 8.553 1.00 3.25 H new ATOM 0 HG3 GLN A 3 -0.321 13.151 9.663 1.00 3.25 H new ATOM 0 HE21 GLN A 3 1.191 11.881 7.370 1.00 33.23 H new ATOM 0 HE22 GLN A 3 2.307 13.133 6.817 1.00 33.23 H new ATOM 49 N LEU A 4 -2.931 9.322 8.546 1.00 11.14 N ATOM 50 CA LEU A 4 -3.431 8.036 8.063 1.00 14.22 C ATOM 51 C LEU A 4 -4.883 8.150 7.607 1.00 61.14 C ATOM 52 O LEU A 4 -5.234 7.690 6.522 1.00 63.15 O ATOM 53 CB LEU A 4 -3.317 6.963 9.149 1.00 42.32 C ATOM 54 CG LEU A 4 -1.894 6.502 9.468 1.00 71.53 C ATOM 55 CD1 LEU A 4 -1.912 5.464 10.578 1.00 63.41 C ATOM 56 CD2 LEU A 4 -1.227 5.939 8.220 1.00 4.12 C ATOM 0 H LEU A 4 -2.519 9.291 9.479 1.00 11.14 H new ATOM 0 HA LEU A 4 -2.816 7.745 7.211 1.00 14.22 H new ATOM 0 HB2 LEU A 4 -3.770 7.346 10.063 1.00 42.32 H new ATOM 0 HB3 LEU A 4 -3.902 6.096 8.842 1.00 42.32 H new ATOM 0 HG LEU A 4 -1.317 7.362 9.809 1.00 71.53 H new ATOM 0 HD11 LEU A 4 -0.892 5.145 10.794 1.00 63.41 H new ATOM 0 HD12 LEU A 4 -2.355 5.898 11.475 1.00 63.41 H new ATOM 0 HD13 LEU A 4 -2.502 4.604 10.262 1.00 63.41 H new ATOM 0 HD21 LEU A 4 -0.215 5.615 8.463 1.00 4.12 H new ATOM 0 HD22 LEU A 4 -1.802 5.089 7.852 1.00 4.12 H new ATOM 0 HD23 LEU A 4 -1.186 6.710 7.450 1.00 4.12 H new ATOM 68 N LYS A 5 -5.716 8.778 8.430 1.00 62.42 N ATOM 69 CA LYS A 5 -7.121 8.972 8.092 1.00 24.54 C ATOM 70 C LYS A 5 -7.252 9.871 6.869 1.00 3.42 C ATOM 71 O LYS A 5 -8.048 9.598 5.972 1.00 13.42 O ATOM 72 CB LYS A 5 -7.886 9.569 9.279 1.00 4.13 C ATOM 73 CG LYS A 5 -9.316 9.968 8.946 1.00 52.11 C ATOM 74 CD LYS A 5 -10.107 10.327 10.194 1.00 64.34 C ATOM 75 CE LYS A 5 -10.391 9.102 11.047 1.00 63.01 C ATOM 76 NZ LYS A 5 -11.258 8.123 10.339 1.00 71.13 N ATOM 0 H LYS A 5 -5.443 9.161 9.335 1.00 62.42 H new ATOM 0 HA LYS A 5 -7.556 8.000 7.859 1.00 24.54 H new ATOM 0 HB2 LYS A 5 -7.901 8.844 10.092 1.00 4.13 H new ATOM 0 HB3 LYS A 5 -7.349 10.445 9.643 1.00 4.13 H new ATOM 0 HG2 LYS A 5 -9.307 10.818 8.264 1.00 52.11 H new ATOM 0 HG3 LYS A 5 -9.810 9.148 8.426 1.00 52.11 H new ATOM 0 HD2 LYS A 5 -9.551 11.058 10.780 1.00 64.34 H new ATOM 0 HD3 LYS A 5 -11.047 10.797 9.907 1.00 64.34 H new ATOM 0 HE2 LYS A 5 -9.450 8.623 11.320 1.00 63.01 H new ATOM 0 HE3 LYS A 5 -10.873 9.409 11.975 1.00 63.01 H new ATOM 0 HZ1 LYS A 5 -11.663 7.456 11.027 1.00 71.13 H new ATOM 0 HZ2 LYS A 5 -12.026 8.628 9.853 1.00 71.13 H new ATOM 0 HZ3 LYS A 5 -10.692 7.599 9.641 1.00 71.13 H new ATOM 90 N THR A 6 -6.454 10.933 6.836 1.00 64.20 N ATOM 91 CA THR A 6 -6.418 11.840 5.697 1.00 64.42 C ATOM 92 C THR A 6 -6.144 11.068 4.405 1.00 15.40 C ATOM 93 O THR A 6 -6.866 11.205 3.415 1.00 23.03 O ATOM 94 CB THR A 6 -5.313 12.900 5.888 1.00 1.12 C ATOM 95 OG1 THR A 6 -5.404 13.474 7.200 1.00 11.44 O ATOM 96 CG2 THR A 6 -5.416 13.998 4.841 1.00 12.40 C ATOM 0 H THR A 6 -5.819 11.187 7.593 1.00 64.20 H new ATOM 0 HA THR A 6 -7.389 12.331 5.629 1.00 64.42 H new ATOM 0 HB THR A 6 -4.349 12.405 5.772 1.00 1.12 H new ATOM 0 HG1 THR A 6 -4.698 14.144 7.313 1.00 11.44 H new ATOM 0 HG21 THR A 6 -4.624 14.730 5.002 1.00 12.40 H new ATOM 0 HG22 THR A 6 -5.312 13.564 3.847 1.00 12.40 H new ATOM 0 HG23 THR A 6 -6.386 14.489 4.923 1.00 12.40 H new ATOM 104 N ILE A 7 -5.109 10.238 4.447 1.00 21.41 N ATOM 105 CA ILE A 7 -4.683 9.452 3.301 1.00 51.43 C ATOM 106 C ILE A 7 -5.754 8.446 2.884 1.00 70.42 C ATOM 107 O ILE A 7 -6.000 8.257 1.692 1.00 11.11 O ATOM 108 CB ILE A 7 -3.365 8.724 3.619 1.00 42.11 C ATOM 109 CG1 ILE A 7 -2.275 9.754 3.917 1.00 33.21 C ATOM 110 CG2 ILE A 7 -2.958 7.824 2.463 1.00 75.15 C ATOM 111 CD1 ILE A 7 -1.062 9.177 4.606 1.00 53.45 C ATOM 0 H ILE A 7 -4.541 10.092 5.281 1.00 21.41 H new ATOM 0 HA ILE A 7 -4.524 10.135 2.467 1.00 51.43 H new ATOM 0 HB ILE A 7 -3.506 8.093 4.497 1.00 42.11 H new ATOM 0 HG12 ILE A 7 -1.963 10.219 2.982 1.00 33.21 H new ATOM 0 HG13 ILE A 7 -2.695 10.543 4.541 1.00 33.21 H new ATOM 0 HG21 ILE A 7 -2.024 7.318 2.707 1.00 75.15 H new ATOM 0 HG22 ILE A 7 -3.737 7.082 2.288 1.00 75.15 H new ATOM 0 HG23 ILE A 7 -2.821 8.426 1.564 1.00 75.15 H new ATOM 0 HD11 ILE A 7 -0.334 9.968 4.784 1.00 53.45 H new ATOM 0 HD12 ILE A 7 -1.359 8.737 5.558 1.00 53.45 H new ATOM 0 HD13 ILE A 7 -0.616 8.409 3.975 1.00 53.45 H new ATOM 123 N LYS A 8 -6.391 7.813 3.868 1.00 35.34 N ATOM 124 CA LYS A 8 -7.494 6.893 3.598 1.00 72.20 C ATOM 125 C LYS A 8 -8.559 7.578 2.746 1.00 1.24 C ATOM 126 O LYS A 8 -8.996 7.042 1.728 1.00 73.14 O ATOM 127 CB LYS A 8 -8.117 6.396 4.909 1.00 10.43 C ATOM 128 CG LYS A 8 -7.212 5.484 5.724 1.00 52.51 C ATOM 129 CD LYS A 8 -7.761 5.281 7.129 1.00 14.05 C ATOM 130 CE LYS A 8 -6.868 4.371 7.963 1.00 12.14 C ATOM 131 NZ LYS A 8 -6.998 2.942 7.574 1.00 72.21 N ATOM 0 H LYS A 8 -6.163 7.920 4.856 1.00 35.34 H new ATOM 0 HA LYS A 8 -7.098 6.037 3.052 1.00 72.20 H new ATOM 0 HB2 LYS A 8 -8.389 7.258 5.518 1.00 10.43 H new ATOM 0 HB3 LYS A 8 -9.040 5.863 4.680 1.00 10.43 H new ATOM 0 HG2 LYS A 8 -7.117 4.520 5.224 1.00 52.51 H new ATOM 0 HG3 LYS A 8 -6.212 5.914 5.780 1.00 52.51 H new ATOM 0 HD2 LYS A 8 -7.858 6.247 7.624 1.00 14.05 H new ATOM 0 HD3 LYS A 8 -8.761 4.852 7.069 1.00 14.05 H new ATOM 0 HE2 LYS A 8 -5.830 4.683 7.851 1.00 12.14 H new ATOM 0 HE3 LYS A 8 -7.122 4.483 9.017 1.00 12.14 H new ATOM 0 HZ1 LYS A 8 -6.582 2.342 8.314 1.00 72.21 H new ATOM 0 HZ2 LYS A 8 -8.004 2.703 7.460 1.00 72.21 H new ATOM 0 HZ3 LYS A 8 -6.500 2.780 6.676 1.00 72.21 H new ATOM 145 N GLU A 9 -8.940 8.781 3.155 1.00 70.32 N ATOM 146 CA GLU A 9 -9.961 9.546 2.453 1.00 53.25 C ATOM 147 C GLU A 9 -9.466 9.971 1.070 1.00 22.13 C ATOM 148 O GLU A 9 -10.243 10.044 0.117 1.00 34.12 O ATOM 149 CB GLU A 9 -10.349 10.786 3.262 1.00 44.11 C ATOM 150 CG GLU A 9 -10.719 10.491 4.709 1.00 3.34 C ATOM 151 CD GLU A 9 -11.785 9.423 4.845 1.00 74.23 C ATOM 152 OE1 GLU A 9 -12.965 9.721 4.568 1.00 31.04 O ATOM 153 OE2 GLU A 9 -11.449 8.285 5.238 1.00 43.53 O ATOM 0 H GLU A 9 -8.554 9.250 3.975 1.00 70.32 H new ATOM 0 HA GLU A 9 -10.836 8.908 2.332 1.00 53.25 H new ATOM 0 HB2 GLU A 9 -9.518 11.492 3.247 1.00 44.11 H new ATOM 0 HB3 GLU A 9 -11.192 11.276 2.775 1.00 44.11 H new ATOM 0 HG2 GLU A 9 -9.826 10.175 5.249 1.00 3.34 H new ATOM 0 HG3 GLU A 9 -11.070 11.408 5.182 1.00 3.34 H new ATOM 160 N LEU A 10 -8.173 10.256 0.972 1.00 52.14 N ATOM 161 CA LEU A 10 -7.564 10.647 -0.298 1.00 73.32 C ATOM 162 C LEU A 10 -7.650 9.508 -1.308 1.00 65.20 C ATOM 163 O LEU A 10 -8.004 9.715 -2.467 1.00 72.22 O ATOM 164 CB LEU A 10 -6.104 11.061 -0.090 1.00 60.42 C ATOM 165 CG LEU A 10 -5.903 12.336 0.730 1.00 21.50 C ATOM 166 CD1 LEU A 10 -4.427 12.566 1.001 1.00 75.05 C ATOM 167 CD2 LEU A 10 -6.503 13.533 0.006 1.00 22.53 C ATOM 0 H LEU A 10 -7.523 10.224 1.757 1.00 52.14 H new ATOM 0 HA LEU A 10 -8.115 11.501 -0.691 1.00 73.32 H new ATOM 0 HB2 LEU A 10 -5.577 10.244 0.403 1.00 60.42 H new ATOM 0 HB3 LEU A 10 -5.639 11.198 -1.066 1.00 60.42 H new ATOM 0 HG LEU A 10 -6.415 12.217 1.685 1.00 21.50 H new ATOM 0 HD11 LEU A 10 -4.302 13.477 1.586 1.00 75.05 H new ATOM 0 HD12 LEU A 10 -4.023 11.720 1.557 1.00 75.05 H new ATOM 0 HD13 LEU A 10 -3.895 12.666 0.055 1.00 75.05 H new ATOM 0 HD21 LEU A 10 -6.352 14.432 0.603 1.00 22.53 H new ATOM 0 HD22 LEU A 10 -6.017 13.654 -0.962 1.00 22.53 H new ATOM 0 HD23 LEU A 10 -7.571 13.371 -0.142 1.00 22.53 H new ATOM 179 N ILE A 11 -7.348 8.302 -0.859 1.00 15.54 N ATOM 180 CA ILE A 11 -7.413 7.132 -1.719 1.00 41.53 C ATOM 181 C ILE A 11 -8.853 6.856 -2.152 1.00 30.12 C ATOM 182 O ILE A 11 -9.101 6.447 -3.286 1.00 41.01 O ATOM 183 CB ILE A 11 -6.822 5.899 -1.002 1.00 24.12 C ATOM 184 CG1 ILE A 11 -5.342 6.141 -0.705 1.00 41.15 C ATOM 185 CG2 ILE A 11 -6.996 4.639 -1.837 1.00 63.34 C ATOM 186 CD1 ILE A 11 -4.741 5.142 0.255 1.00 34.42 C ATOM 0 H ILE A 11 -7.055 8.107 0.098 1.00 15.54 H new ATOM 0 HA ILE A 11 -6.819 7.333 -2.611 1.00 41.53 H new ATOM 0 HB ILE A 11 -7.360 5.752 -0.066 1.00 24.12 H new ATOM 0 HG12 ILE A 11 -4.784 6.112 -1.641 1.00 41.15 H new ATOM 0 HG13 ILE A 11 -5.223 7.143 -0.293 1.00 41.15 H new ATOM 0 HG21 ILE A 11 -6.570 3.788 -1.305 1.00 63.34 H new ATOM 0 HG22 ILE A 11 -8.057 4.463 -2.013 1.00 63.34 H new ATOM 0 HG23 ILE A 11 -6.486 4.762 -2.792 1.00 63.34 H new ATOM 0 HD11 ILE A 11 -3.689 5.379 0.416 1.00 34.42 H new ATOM 0 HD12 ILE A 11 -5.273 5.186 1.206 1.00 34.42 H new ATOM 0 HD13 ILE A 11 -4.827 4.139 -0.163 1.00 34.42 H new ATOM 198 N ASN A 12 -9.799 7.105 -1.252 1.00 1.31 N ATOM 199 CA ASN A 12 -11.217 6.912 -1.558 1.00 0.11 C ATOM 200 C ASN A 12 -11.690 7.895 -2.623 1.00 65.44 C ATOM 201 O ASN A 12 -12.474 7.539 -3.504 1.00 20.21 O ATOM 202 CB ASN A 12 -12.086 7.073 -0.304 1.00 11.33 C ATOM 203 CG ASN A 12 -11.819 6.019 0.754 1.00 65.51 C ATOM 204 OD1 ASN A 12 -11.381 4.907 0.455 1.00 73.32 O ATOM 205 ND2 ASN A 12 -12.111 6.355 2.002 1.00 63.55 N ATOM 0 H ASN A 12 -9.613 7.440 -0.307 1.00 1.31 H new ATOM 0 HA ASN A 12 -11.323 5.895 -1.936 1.00 0.11 H new ATOM 0 HB2 ASN A 12 -11.912 8.060 0.125 1.00 11.33 H new ATOM 0 HB3 ASN A 12 -13.137 7.031 -0.591 1.00 11.33 H new ATOM 0 HD21 ASN A 12 -11.975 5.682 2.756 1.00 63.55 H new ATOM 0 HD22 ASN A 12 -12.472 7.286 2.208 1.00 63.55 H new ATOM 212 N GLN A 13 -11.207 9.130 -2.548 1.00 44.34 N ATOM 213 CA GLN A 13 -11.639 10.172 -3.476 1.00 62.33 C ATOM 214 C GLN A 13 -10.870 10.087 -4.789 1.00 51.00 C ATOM 215 O GLN A 13 -11.237 10.722 -5.777 1.00 42.00 O ATOM 216 CB GLN A 13 -11.482 11.562 -2.850 1.00 71.02 C ATOM 217 CG GLN A 13 -10.054 11.919 -2.477 1.00 21.22 C ATOM 218 CD GLN A 13 -9.956 13.238 -1.739 1.00 1.22 C ATOM 219 OE1 GLN A 13 -9.771 14.291 -2.347 1.00 5.12 O ATOM 220 NE2 GLN A 13 -10.092 13.187 -0.423 1.00 50.11 N ATOM 0 H GLN A 13 -10.520 9.435 -1.859 1.00 44.34 H new ATOM 0 HA GLN A 13 -12.696 10.011 -3.689 1.00 62.33 H new ATOM 0 HB2 GLN A 13 -11.860 12.308 -3.549 1.00 71.02 H new ATOM 0 HB3 GLN A 13 -12.104 11.618 -1.957 1.00 71.02 H new ATOM 0 HG2 GLN A 13 -9.636 11.127 -1.855 1.00 21.22 H new ATOM 0 HG3 GLN A 13 -9.448 11.967 -3.381 1.00 21.22 H new ATOM 0 HE21 GLN A 13 -10.244 12.291 0.040 1.00 50.11 H new ATOM 0 HE22 GLN A 13 -10.045 14.044 0.128 1.00 50.11 H new ATOM 229 N GLY A 14 -9.805 9.300 -4.795 1.00 10.42 N ATOM 230 CA GLY A 14 -9.050 9.095 -6.012 1.00 71.22 C ATOM 231 C GLY A 14 -7.843 10.001 -6.110 1.00 32.32 C ATOM 232 O GLY A 14 -7.242 10.133 -7.177 1.00 0.54 O ATOM 0 H GLY A 14 -9.451 8.800 -3.979 1.00 10.42 H new ATOM 0 HA2 GLY A 14 -8.724 8.056 -6.062 1.00 71.22 H new ATOM 0 HA3 GLY A 14 -9.699 9.267 -6.871 1.00 71.22 H new ATOM 236 N ASP A 15 -7.480 10.631 -5.004 1.00 12.15 N ATOM 237 CA ASP A 15 -6.291 11.470 -4.980 1.00 75.43 C ATOM 238 C ASP A 15 -5.103 10.664 -4.462 1.00 12.44 C ATOM 239 O ASP A 15 -4.711 10.773 -3.298 1.00 60.33 O ATOM 240 CB ASP A 15 -6.514 12.712 -4.120 1.00 31.45 C ATOM 241 CG ASP A 15 -5.493 13.800 -4.395 1.00 22.03 C ATOM 242 OD1 ASP A 15 -4.420 13.496 -4.967 1.00 72.11 O ATOM 243 OD2 ASP A 15 -5.760 14.967 -4.044 1.00 70.12 O ATOM 0 H ASP A 15 -7.985 10.579 -4.119 1.00 12.15 H new ATOM 0 HA ASP A 15 -6.079 11.804 -5.996 1.00 75.43 H new ATOM 0 HB2 ASP A 15 -7.515 13.103 -4.304 1.00 31.45 H new ATOM 0 HB3 ASP A 15 -6.469 12.434 -3.067 1.00 31.45 H new ATOM 248 N ILE A 16 -4.559 9.833 -5.338 1.00 12.22 N ATOM 249 CA ILE A 16 -3.483 8.924 -4.986 1.00 3.24 C ATOM 250 C ILE A 16 -2.168 9.662 -4.734 1.00 54.24 C ATOM 251 O ILE A 16 -1.438 9.327 -3.804 1.00 64.14 O ATOM 252 CB ILE A 16 -3.300 7.849 -6.089 1.00 42.13 C ATOM 253 CG1 ILE A 16 -4.273 6.682 -5.877 1.00 74.24 C ATOM 254 CG2 ILE A 16 -1.868 7.335 -6.135 1.00 41.23 C ATOM 255 CD1 ILE A 16 -5.730 7.076 -5.792 1.00 30.12 C ATOM 0 H ILE A 16 -4.852 9.771 -6.313 1.00 12.22 H new ATOM 0 HA ILE A 16 -3.763 8.433 -4.054 1.00 3.24 H new ATOM 0 HB ILE A 16 -3.520 8.322 -7.046 1.00 42.13 H new ATOM 0 HG12 ILE A 16 -4.151 5.973 -6.695 1.00 74.24 H new ATOM 0 HG13 ILE A 16 -3.998 6.161 -4.960 1.00 74.24 H new ATOM 0 HG21 ILE A 16 -1.776 6.583 -6.919 1.00 41.23 H new ATOM 0 HG22 ILE A 16 -1.191 8.163 -6.345 1.00 41.23 H new ATOM 0 HG23 ILE A 16 -1.610 6.890 -5.174 1.00 41.23 H new ATOM 0 HD11 ILE A 16 -6.340 6.185 -5.642 1.00 30.12 H new ATOM 0 HD12 ILE A 16 -5.874 7.759 -4.955 1.00 30.12 H new ATOM 0 HD13 ILE A 16 -6.028 7.568 -6.718 1.00 30.12 H new ATOM 267 N GLU A 17 -1.870 10.671 -5.544 1.00 22.40 N ATOM 268 CA GLU A 17 -0.601 11.382 -5.418 1.00 63.34 C ATOM 269 C GLU A 17 -0.509 12.146 -4.102 1.00 12.55 C ATOM 270 O GLU A 17 0.555 12.187 -3.483 1.00 2.04 O ATOM 271 CB GLU A 17 -0.364 12.311 -6.607 1.00 62.13 C ATOM 272 CG GLU A 17 -0.007 11.558 -7.874 1.00 71.10 C ATOM 273 CD GLU A 17 0.337 12.471 -9.029 1.00 21.23 C ATOM 274 OE1 GLU A 17 -0.592 12.920 -9.731 1.00 32.13 O ATOM 275 OE2 GLU A 17 1.538 12.728 -9.252 1.00 64.11 O ATOM 0 H GLU A 17 -2.480 11.013 -6.286 1.00 22.40 H new ATOM 0 HA GLU A 17 0.188 10.630 -5.416 1.00 63.34 H new ATOM 0 HB2 GLU A 17 -1.260 12.906 -6.783 1.00 62.13 H new ATOM 0 HB3 GLU A 17 0.438 13.008 -6.365 1.00 62.13 H new ATOM 0 HG2 GLU A 17 0.839 10.901 -7.673 1.00 71.10 H new ATOM 0 HG3 GLU A 17 -0.844 10.921 -8.159 1.00 71.10 H new ATOM 282 N ASN A 18 -1.617 12.733 -3.663 1.00 32.32 N ATOM 283 CA ASN A 18 -1.652 13.381 -2.355 1.00 62.02 C ATOM 284 C ASN A 18 -1.520 12.343 -1.251 1.00 43.32 C ATOM 285 O ASN A 18 -0.872 12.581 -0.231 1.00 10.43 O ATOM 286 CB ASN A 18 -2.939 14.179 -2.174 1.00 75.20 C ATOM 287 CG ASN A 18 -2.728 15.666 -2.378 1.00 50.23 C ATOM 288 OD1 ASN A 18 -1.672 16.206 -2.049 1.00 61.22 O ATOM 289 ND2 ASN A 18 -3.720 16.334 -2.937 1.00 1.35 N ATOM 0 H ASN A 18 -2.492 12.774 -4.185 1.00 32.32 H new ATOM 0 HA ASN A 18 -0.811 14.072 -2.296 1.00 62.02 H new ATOM 0 HB2 ASN A 18 -3.688 13.821 -2.880 1.00 75.20 H new ATOM 0 HB3 ASN A 18 -3.334 14.004 -1.173 1.00 75.20 H new ATOM 0 HD21 ASN A 18 -3.627 17.335 -3.111 1.00 1.35 H new ATOM 0 HD22 ASN A 18 -4.580 15.849 -3.195 1.00 1.35 H new ATOM 296 N ALA A 19 -2.127 11.183 -1.473 1.00 24.43 N ATOM 297 CA ALA A 19 -2.022 10.076 -0.535 1.00 25.10 C ATOM 298 C ALA A 19 -0.574 9.609 -0.414 1.00 11.22 C ATOM 299 O ALA A 19 -0.033 9.538 0.686 1.00 12.21 O ATOM 300 CB ALA A 19 -2.922 8.929 -0.970 1.00 73.24 C ATOM 0 H ALA A 19 -2.697 10.986 -2.296 1.00 24.43 H new ATOM 0 HA ALA A 19 -2.350 10.420 0.446 1.00 25.10 H new ATOM 0 HB1 ALA A 19 -2.834 8.107 -0.259 1.00 73.24 H new ATOM 0 HB2 ALA A 19 -3.957 9.271 -1.003 1.00 73.24 H new ATOM 0 HB3 ALA A 19 -2.622 8.586 -1.960 1.00 73.24 H new ATOM 306 N LEU A 20 0.051 9.325 -1.553 1.00 73.14 N ATOM 307 CA LEU A 20 1.418 8.808 -1.586 1.00 70.31 C ATOM 308 C LEU A 20 2.401 9.738 -0.884 1.00 51.11 C ATOM 309 O LEU A 20 3.168 9.298 -0.032 1.00 52.40 O ATOM 310 CB LEU A 20 1.875 8.582 -3.028 1.00 13.51 C ATOM 311 CG LEU A 20 1.199 7.419 -3.755 1.00 30.13 C ATOM 312 CD1 LEU A 20 1.724 7.311 -5.176 1.00 0.14 C ATOM 313 CD2 LEU A 20 1.426 6.115 -3.002 1.00 63.43 C ATOM 0 H LEU A 20 -0.371 9.445 -2.474 1.00 73.14 H new ATOM 0 HA LEU A 20 1.408 7.858 -1.051 1.00 70.31 H new ATOM 0 HB2 LEU A 20 1.697 9.496 -3.595 1.00 13.51 H new ATOM 0 HB3 LEU A 20 2.952 8.412 -3.028 1.00 13.51 H new ATOM 0 HG LEU A 20 0.127 7.610 -3.794 1.00 30.13 H new ATOM 0 HD11 LEU A 20 1.235 6.479 -5.682 1.00 0.14 H new ATOM 0 HD12 LEU A 20 1.515 8.236 -5.713 1.00 0.14 H new ATOM 0 HD13 LEU A 20 2.800 7.140 -5.154 1.00 0.14 H new ATOM 0 HD21 LEU A 20 0.938 5.298 -3.534 1.00 63.43 H new ATOM 0 HD22 LEU A 20 2.495 5.916 -2.934 1.00 63.43 H new ATOM 0 HD23 LEU A 20 1.007 6.196 -1.999 1.00 63.43 H new ATOM 325 N GLN A 21 2.370 11.022 -1.230 1.00 52.22 N ATOM 326 CA GLN A 21 3.325 11.976 -0.671 1.00 41.12 C ATOM 327 C GLN A 21 3.147 12.114 0.838 1.00 34.22 C ATOM 328 O GLN A 21 4.121 12.278 1.576 1.00 4.43 O ATOM 329 CB GLN A 21 3.203 13.338 -1.358 1.00 22.14 C ATOM 330 CG GLN A 21 1.838 13.987 -1.227 1.00 11.12 C ATOM 331 CD GLN A 21 1.714 15.239 -2.068 1.00 40.12 C ATOM 332 OE1 GLN A 21 2.006 16.345 -1.611 1.00 30.01 O ATOM 333 NE2 GLN A 21 1.291 15.067 -3.309 1.00 72.21 N ATOM 0 H GLN A 21 1.702 11.424 -1.888 1.00 52.22 H new ATOM 0 HA GLN A 21 4.327 11.590 -0.857 1.00 41.12 H new ATOM 0 HB2 GLN A 21 3.953 14.010 -0.941 1.00 22.14 H new ATOM 0 HB3 GLN A 21 3.435 13.219 -2.416 1.00 22.14 H new ATOM 0 HG2 GLN A 21 1.069 13.274 -1.525 1.00 11.12 H new ATOM 0 HG3 GLN A 21 1.655 14.235 -0.181 1.00 11.12 H new ATOM 0 HE21 GLN A 21 1.061 14.132 -3.644 1.00 72.21 H new ATOM 0 HE22 GLN A 21 1.195 15.870 -3.931 1.00 72.21 H new ATOM 342 N ALA A 22 1.902 12.031 1.297 1.00 53.43 N ATOM 343 CA ALA A 22 1.614 12.080 2.724 1.00 72.31 C ATOM 344 C ALA A 22 2.033 10.776 3.400 1.00 64.43 C ATOM 345 O ALA A 22 2.462 10.771 4.553 1.00 15.33 O ATOM 346 CB ALA A 22 0.137 12.354 2.957 1.00 24.11 C ATOM 0 H ALA A 22 1.079 11.930 0.702 1.00 53.43 H new ATOM 0 HA ALA A 22 2.189 12.894 3.166 1.00 72.31 H new ATOM 0 HB1 ALA A 22 -0.062 12.388 4.028 1.00 24.11 H new ATOM 0 HB2 ALA A 22 -0.131 13.310 2.508 1.00 24.11 H new ATOM 0 HB3 ALA A 22 -0.456 11.561 2.502 1.00 24.11 H new ATOM 352 N LEU A 23 1.910 9.675 2.667 1.00 53.22 N ATOM 353 CA LEU A 23 2.327 8.363 3.152 1.00 41.42 C ATOM 354 C LEU A 23 3.836 8.311 3.345 1.00 11.41 C ATOM 355 O LEU A 23 4.316 7.936 4.414 1.00 24.11 O ATOM 356 CB LEU A 23 1.881 7.270 2.179 1.00 0.42 C ATOM 357 CG LEU A 23 0.389 6.951 2.214 1.00 52.10 C ATOM 358 CD1 LEU A 23 -0.036 6.225 0.949 1.00 5.25 C ATOM 359 CD2 LEU A 23 0.063 6.114 3.442 1.00 62.51 C ATOM 0 H LEU A 23 1.520 9.665 1.724 1.00 53.22 H new ATOM 0 HA LEU A 23 1.852 8.191 4.118 1.00 41.42 H new ATOM 0 HB2 LEU A 23 2.150 7.573 1.167 1.00 0.42 H new ATOM 0 HB3 LEU A 23 2.438 6.359 2.398 1.00 0.42 H new ATOM 0 HG LEU A 23 -0.165 7.888 2.270 1.00 52.10 H new ATOM 0 HD11 LEU A 23 -1.103 6.007 0.995 1.00 5.25 H new ATOM 0 HD12 LEU A 23 0.169 6.854 0.082 1.00 5.25 H new ATOM 0 HD13 LEU A 23 0.521 5.292 0.860 1.00 5.25 H new ATOM 0 HD21 LEU A 23 -1.004 5.892 3.458 1.00 62.51 H new ATOM 0 HD22 LEU A 23 0.627 5.182 3.407 1.00 62.51 H new ATOM 0 HD23 LEU A 23 0.332 6.668 4.342 1.00 62.51 H new ATOM 371 N GLU A 24 4.574 8.713 2.315 1.00 42.12 N ATOM 372 CA GLU A 24 6.031 8.730 2.369 1.00 50.14 C ATOM 373 C GLU A 24 6.511 9.660 3.480 1.00 4.22 C ATOM 374 O GLU A 24 7.561 9.443 4.085 1.00 21.41 O ATOM 375 CB GLU A 24 6.608 9.175 1.023 1.00 35.04 C ATOM 376 CG GLU A 24 6.192 8.284 -0.138 1.00 74.44 C ATOM 377 CD GLU A 24 6.816 8.704 -1.452 1.00 61.24 C ATOM 378 OE1 GLU A 24 7.922 8.212 -1.767 1.00 45.12 O ATOM 379 OE2 GLU A 24 6.203 9.516 -2.177 1.00 1.04 O ATOM 0 H GLU A 24 4.184 9.033 1.429 1.00 42.12 H new ATOM 0 HA GLU A 24 6.381 7.720 2.583 1.00 50.14 H new ATOM 0 HB2 GLU A 24 6.288 10.197 0.819 1.00 35.04 H new ATOM 0 HB3 GLU A 24 7.696 9.188 1.089 1.00 35.04 H new ATOM 0 HG2 GLU A 24 6.475 7.254 0.081 1.00 74.44 H new ATOM 0 HG3 GLU A 24 5.106 8.303 -0.234 1.00 74.44 H new ATOM 386 N GLU A 25 5.724 10.692 3.743 1.00 12.32 N ATOM 387 CA GLU A 25 6.009 11.620 4.824 1.00 34.04 C ATOM 388 C GLU A 25 5.708 10.976 6.178 1.00 23.23 C ATOM 389 O GLU A 25 6.486 11.105 7.127 1.00 0.12 O ATOM 390 CB GLU A 25 5.181 12.889 4.642 1.00 20.14 C ATOM 391 CG GLU A 25 5.323 13.880 5.778 1.00 51.31 C ATOM 392 CD GLU A 25 4.465 15.105 5.576 1.00 71.33 C ATOM 393 OE1 GLU A 25 3.228 14.996 5.706 1.00 23.44 O ATOM 394 OE2 GLU A 25 5.018 16.186 5.284 1.00 15.42 O ATOM 0 H GLU A 25 4.877 10.908 3.217 1.00 12.32 H new ATOM 0 HA GLU A 25 7.068 11.878 4.799 1.00 34.04 H new ATOM 0 HB2 GLU A 25 5.475 13.373 3.711 1.00 20.14 H new ATOM 0 HB3 GLU A 25 4.131 12.615 4.541 1.00 20.14 H new ATOM 0 HG2 GLU A 25 5.049 13.397 6.716 1.00 51.31 H new ATOM 0 HG3 GLU A 25 6.367 14.180 5.868 1.00 51.31 H new ATOM 401 N PHE A 26 4.584 10.268 6.258 1.00 13.20 N ATOM 402 CA PHE A 26 4.169 9.606 7.491 1.00 54.40 C ATOM 403 C PHE A 26 5.194 8.562 7.923 1.00 32.12 C ATOM 404 O PHE A 26 5.433 8.371 9.119 1.00 62.34 O ATOM 405 CB PHE A 26 2.794 8.951 7.309 1.00 43.55 C ATOM 406 CG PHE A 26 2.221 8.392 8.579 1.00 1.34 C ATOM 407 CD1 PHE A 26 1.528 9.211 9.457 1.00 32.33 C ATOM 408 CD2 PHE A 26 2.373 7.052 8.898 1.00 5.04 C ATOM 409 CE1 PHE A 26 1.003 8.706 10.629 1.00 12.21 C ATOM 410 CE2 PHE A 26 1.851 6.542 10.070 1.00 45.01 C ATOM 411 CZ PHE A 26 1.162 7.368 10.935 1.00 3.13 C ATOM 0 H PHE A 26 3.941 10.138 5.477 1.00 13.20 H new ATOM 0 HA PHE A 26 4.100 10.362 8.273 1.00 54.40 H new ATOM 0 HB2 PHE A 26 2.101 9.687 6.901 1.00 43.55 H new ATOM 0 HB3 PHE A 26 2.877 8.150 6.574 1.00 43.55 H new ATOM 0 HD1 PHE A 26 1.397 10.257 9.221 1.00 32.33 H new ATOM 0 HD2 PHE A 26 2.906 6.399 8.222 1.00 5.04 H new ATOM 0 HE1 PHE A 26 0.469 9.356 11.306 1.00 12.21 H new ATOM 0 HE2 PHE A 26 1.982 5.497 10.310 1.00 45.01 H new ATOM 0 HZ PHE A 26 0.748 6.969 11.849 1.00 3.13 H new ATOM 421 N LEU A 27 5.811 7.905 6.945 1.00 4.04 N ATOM 422 CA LEU A 27 6.832 6.894 7.210 1.00 64.31 C ATOM 423 C LEU A 27 7.996 7.490 7.998 1.00 5.12 C ATOM 424 O LEU A 27 8.678 6.792 8.748 1.00 31.13 O ATOM 425 CB LEU A 27 7.360 6.311 5.895 1.00 2.01 C ATOM 426 CG LEU A 27 6.300 5.721 4.960 1.00 64.22 C ATOM 427 CD1 LEU A 27 6.940 5.249 3.666 1.00 72.04 C ATOM 428 CD2 LEU A 27 5.563 4.578 5.640 1.00 22.01 C ATOM 0 H LEU A 27 5.620 8.056 5.954 1.00 4.04 H new ATOM 0 HA LEU A 27 6.371 6.102 7.801 1.00 64.31 H new ATOM 0 HB2 LEU A 27 7.895 7.095 5.360 1.00 2.01 H new ATOM 0 HB3 LEU A 27 8.086 5.532 6.129 1.00 2.01 H new ATOM 0 HG LEU A 27 5.576 6.501 4.723 1.00 64.22 H new ATOM 0 HD11 LEU A 27 6.174 4.832 3.012 1.00 72.04 H new ATOM 0 HD12 LEU A 27 7.422 6.092 3.170 1.00 72.04 H new ATOM 0 HD13 LEU A 27 7.684 4.484 3.886 1.00 72.04 H new ATOM 0 HD21 LEU A 27 4.814 4.172 4.960 1.00 22.01 H new ATOM 0 HD22 LEU A 27 6.273 3.795 5.907 1.00 22.01 H new ATOM 0 HD23 LEU A 27 5.073 4.946 6.541 1.00 22.01 H new ATOM 440 N GLN A 28 8.206 8.789 7.825 1.00 42.04 N ATOM 441 CA GLN A 28 9.314 9.483 8.463 1.00 52.21 C ATOM 442 C GLN A 28 8.979 9.834 9.910 1.00 32.54 C ATOM 443 O GLN A 28 9.847 9.817 10.779 1.00 65.33 O ATOM 444 CB GLN A 28 9.637 10.770 7.707 1.00 44.24 C ATOM 445 CG GLN A 28 9.857 10.579 6.217 1.00 4.24 C ATOM 446 CD GLN A 28 9.949 11.899 5.482 1.00 14.12 C ATOM 447 OE1 GLN A 28 10.409 12.901 6.032 1.00 20.52 O ATOM 448 NE2 GLN A 28 9.505 11.912 4.237 1.00 21.23 N ATOM 0 H GLN A 28 7.618 9.386 7.243 1.00 42.04 H new ATOM 0 HA GLN A 28 10.176 8.816 8.447 1.00 52.21 H new ATOM 0 HB2 GLN A 28 8.822 11.479 7.854 1.00 44.24 H new ATOM 0 HB3 GLN A 28 10.531 11.218 8.140 1.00 44.24 H new ATOM 0 HG2 GLN A 28 10.773 10.010 6.056 1.00 4.24 H new ATOM 0 HG3 GLN A 28 9.039 9.990 5.803 1.00 4.24 H new ATOM 0 HE21 GLN A 28 9.132 11.059 3.820 1.00 21.23 H new ATOM 0 HE22 GLN A 28 9.536 12.775 3.694 1.00 21.23 H new ATOM 457 N THR A 29 7.717 10.150 10.162 1.00 44.04 N ATOM 458 CA THR A 29 7.316 10.662 11.462 1.00 32.14 C ATOM 459 C THR A 29 6.851 9.547 12.404 1.00 3.04 C ATOM 460 O THR A 29 7.176 9.565 13.592 1.00 32.12 O ATOM 461 CB THR A 29 6.222 11.751 11.324 1.00 45.12 C ATOM 462 OG1 THR A 29 5.857 12.259 12.615 1.00 44.23 O ATOM 463 CG2 THR A 29 4.984 11.221 10.614 1.00 43.42 C ATOM 0 H THR A 29 6.958 10.061 9.487 1.00 44.04 H new ATOM 0 HA THR A 29 8.201 11.117 11.907 1.00 32.14 H new ATOM 0 HB THR A 29 6.640 12.556 10.720 1.00 45.12 H new ATOM 0 HG1 THR A 29 5.167 12.947 12.513 1.00 44.23 H new ATOM 0 HG21 THR A 29 4.241 12.015 10.537 1.00 43.42 H new ATOM 0 HG22 THR A 29 5.255 10.880 9.615 1.00 43.42 H new ATOM 0 HG23 THR A 29 4.568 10.388 11.181 1.00 43.42 H new ATOM 471 N GLU A 30 6.121 8.568 11.880 1.00 1.04 N ATOM 472 CA GLU A 30 5.570 7.503 12.710 1.00 31.25 C ATOM 473 C GLU A 30 5.889 6.130 12.132 1.00 43.34 C ATOM 474 O GLU A 30 5.117 5.575 11.348 1.00 25.23 O ATOM 475 CB GLU A 30 4.056 7.671 12.860 1.00 3.30 C ATOM 476 CG GLU A 30 3.654 8.778 13.820 1.00 34.35 C ATOM 477 CD GLU A 30 3.707 8.339 15.271 1.00 72.12 C ATOM 478 OE1 GLU A 30 4.805 8.010 15.766 1.00 51.42 O ATOM 479 OE2 GLU A 30 2.640 8.310 15.919 1.00 44.31 O ATOM 0 H GLU A 30 5.898 8.490 10.888 1.00 1.04 H new ATOM 0 HA GLU A 30 6.035 7.574 13.693 1.00 31.25 H new ATOM 0 HB2 GLU A 30 3.624 7.877 11.881 1.00 3.30 H new ATOM 0 HB3 GLU A 30 3.628 6.730 13.205 1.00 3.30 H new ATOM 0 HG2 GLU A 30 4.314 9.634 13.679 1.00 34.35 H new ATOM 0 HG3 GLU A 30 2.644 9.112 13.582 1.00 34.35 H new ATOM 486 N PRO A 31 7.043 5.566 12.509 1.00 14.32 N ATOM 487 CA PRO A 31 7.457 4.237 12.055 1.00 33.31 C ATOM 488 C PRO A 31 6.590 3.128 12.642 1.00 31.33 C ATOM 489 O PRO A 31 6.573 2.002 12.141 1.00 74.11 O ATOM 490 CB PRO A 31 8.895 4.117 12.563 1.00 31.43 C ATOM 491 CG PRO A 31 8.972 5.051 13.720 1.00 4.31 C ATOM 492 CD PRO A 31 8.046 6.187 13.393 1.00 73.50 C ATOM 0 HA PRO A 31 7.364 4.130 10.974 1.00 33.31 H new ATOM 0 HB2 PRO A 31 9.123 3.095 12.865 1.00 31.43 H new ATOM 0 HB3 PRO A 31 9.612 4.388 11.788 1.00 31.43 H new ATOM 0 HG2 PRO A 31 8.672 4.555 14.643 1.00 4.31 H new ATOM 0 HG3 PRO A 31 9.991 5.408 13.867 1.00 4.31 H new ATOM 0 HD2 PRO A 31 7.588 6.603 14.290 1.00 73.50 H new ATOM 0 HD3 PRO A 31 8.571 7.003 12.895 1.00 73.50 H new ATOM 500 N VAL A 32 5.861 3.465 13.695 1.00 71.03 N ATOM 501 CA VAL A 32 5.017 2.506 14.391 1.00 64.13 C ATOM 502 C VAL A 32 3.764 2.170 13.577 1.00 35.35 C ATOM 503 O VAL A 32 3.186 1.098 13.727 1.00 24.54 O ATOM 504 CB VAL A 32 4.620 3.034 15.792 1.00 24.24 C ATOM 505 CG1 VAL A 32 3.826 4.327 15.683 1.00 12.42 C ATOM 506 CG2 VAL A 32 3.839 1.987 16.575 1.00 22.42 C ATOM 0 H VAL A 32 5.838 4.405 14.089 1.00 71.03 H new ATOM 0 HA VAL A 32 5.596 1.591 14.515 1.00 64.13 H new ATOM 0 HB VAL A 32 5.540 3.245 16.338 1.00 24.24 H new ATOM 0 HG11 VAL A 32 3.560 4.676 16.681 1.00 12.42 H new ATOM 0 HG12 VAL A 32 4.430 5.084 15.183 1.00 12.42 H new ATOM 0 HG13 VAL A 32 2.918 4.149 15.107 1.00 12.42 H new ATOM 0 HG21 VAL A 32 3.575 2.387 17.554 1.00 22.42 H new ATOM 0 HG22 VAL A 32 2.930 1.729 16.031 1.00 22.42 H new ATOM 0 HG23 VAL A 32 4.452 1.095 16.701 1.00 22.42 H new ATOM 516 N GLY A 33 3.368 3.074 12.690 1.00 64.43 N ATOM 517 CA GLY A 33 2.164 2.858 11.914 1.00 11.12 C ATOM 518 C GLY A 33 2.451 2.698 10.437 1.00 54.54 C ATOM 519 O GLY A 33 1.600 2.987 9.597 1.00 43.31 O ATOM 0 H GLY A 33 3.856 3.948 12.495 1.00 64.43 H new ATOM 0 HA2 GLY A 33 1.653 1.968 12.281 1.00 11.12 H new ATOM 0 HA3 GLY A 33 1.485 3.698 12.061 1.00 11.12 H new ATOM 523 N LYS A 34 3.651 2.231 10.113 1.00 53.41 N ATOM 524 CA LYS A 34 4.051 2.083 8.720 1.00 64.40 C ATOM 525 C LYS A 34 3.345 0.906 8.056 1.00 42.14 C ATOM 526 O LYS A 34 3.250 0.848 6.834 1.00 5.05 O ATOM 527 CB LYS A 34 5.566 1.923 8.588 1.00 33.55 C ATOM 528 CG LYS A 34 6.347 3.178 8.951 1.00 34.21 C ATOM 529 CD LYS A 34 7.805 3.075 8.517 1.00 32.53 C ATOM 530 CE LYS A 34 8.514 1.910 9.188 1.00 33.53 C ATOM 531 NZ LYS A 34 9.910 1.762 8.705 1.00 31.11 N ATOM 0 H LYS A 34 4.359 1.950 10.791 1.00 53.41 H new ATOM 0 HA LYS A 34 3.752 2.997 8.207 1.00 64.40 H new ATOM 0 HB2 LYS A 34 5.893 1.104 9.228 1.00 33.55 H new ATOM 0 HB3 LYS A 34 5.805 1.641 7.563 1.00 33.55 H new ATOM 0 HG2 LYS A 34 5.886 4.044 8.477 1.00 34.21 H new ATOM 0 HG3 LYS A 34 6.298 3.340 10.028 1.00 34.21 H new ATOM 0 HD2 LYS A 34 7.854 2.955 7.435 1.00 32.53 H new ATOM 0 HD3 LYS A 34 8.323 4.003 8.759 1.00 32.53 H new ATOM 0 HE2 LYS A 34 8.517 2.059 10.268 1.00 33.53 H new ATOM 0 HE3 LYS A 34 7.963 0.989 8.995 1.00 33.53 H new ATOM 0 HZ1 LYS A 34 10.360 0.957 9.186 1.00 31.11 H new ATOM 0 HZ2 LYS A 34 9.906 1.594 7.679 1.00 31.11 H new ATOM 0 HZ3 LYS A 34 10.443 2.631 8.912 1.00 31.11 H new ATOM 545 N ASP A 35 2.846 -0.028 8.856 1.00 63.21 N ATOM 546 CA ASP A 35 2.133 -1.183 8.313 1.00 14.54 C ATOM 547 C ASP A 35 0.810 -0.738 7.697 1.00 12.32 C ATOM 548 O ASP A 35 0.419 -1.213 6.628 1.00 43.22 O ATOM 549 CB ASP A 35 1.901 -2.250 9.392 1.00 44.15 C ATOM 550 CG ASP A 35 1.104 -1.743 10.576 1.00 44.13 C ATOM 551 OD1 ASP A 35 1.578 -0.812 11.258 1.00 31.21 O ATOM 552 OD2 ASP A 35 0.004 -2.274 10.836 1.00 21.05 O ATOM 0 H ASP A 35 2.919 -0.012 9.873 1.00 63.21 H new ATOM 0 HA ASP A 35 2.749 -1.632 7.534 1.00 14.54 H new ATOM 0 HB2 ASP A 35 1.379 -3.098 8.948 1.00 44.15 H new ATOM 0 HB3 ASP A 35 2.865 -2.617 9.743 1.00 44.15 H new ATOM 557 N GLU A 36 0.142 0.200 8.357 1.00 12.44 N ATOM 558 CA GLU A 36 -1.073 0.788 7.815 1.00 34.22 C ATOM 559 C GLU A 36 -0.724 1.679 6.627 1.00 3.52 C ATOM 560 O GLU A 36 -1.382 1.645 5.587 1.00 54.32 O ATOM 561 CB GLU A 36 -1.796 1.604 8.889 1.00 44.55 C ATOM 562 CG GLU A 36 -3.047 2.315 8.391 1.00 42.52 C ATOM 563 CD GLU A 36 -4.203 1.374 8.105 1.00 54.21 C ATOM 564 OE1 GLU A 36 -4.148 0.624 7.109 1.00 4.21 O ATOM 565 OE2 GLU A 36 -5.192 1.398 8.868 1.00 44.11 O ATOM 0 H GLU A 36 0.422 0.568 9.266 1.00 12.44 H new ATOM 0 HA GLU A 36 -1.736 -0.011 7.484 1.00 34.22 H new ATOM 0 HB2 GLU A 36 -2.070 0.942 9.710 1.00 44.55 H new ATOM 0 HB3 GLU A 36 -1.106 2.345 9.293 1.00 44.55 H new ATOM 0 HG2 GLU A 36 -3.360 3.047 9.135 1.00 42.52 H new ATOM 0 HG3 GLU A 36 -2.805 2.867 7.483 1.00 42.52 H new ATOM 572 N ALA A 37 0.337 2.459 6.791 1.00 41.50 N ATOM 573 CA ALA A 37 0.787 3.369 5.752 1.00 1.41 C ATOM 574 C ALA A 37 1.126 2.621 4.466 1.00 43.14 C ATOM 575 O ALA A 37 0.609 2.946 3.403 1.00 3.13 O ATOM 576 CB ALA A 37 1.984 4.172 6.233 1.00 20.11 C ATOM 0 H ALA A 37 0.903 2.477 7.639 1.00 41.50 H new ATOM 0 HA ALA A 37 -0.030 4.056 5.531 1.00 1.41 H new ATOM 0 HB1 ALA A 37 2.309 4.849 5.443 1.00 20.11 H new ATOM 0 HB2 ALA A 37 1.704 4.750 7.114 1.00 20.11 H new ATOM 0 HB3 ALA A 37 2.798 3.494 6.488 1.00 20.11 H new ATOM 582 N TYR A 38 1.974 1.605 4.572 1.00 64.21 N ATOM 583 CA TYR A 38 2.398 0.839 3.403 1.00 74.31 C ATOM 584 C TYR A 38 1.226 0.127 2.743 1.00 2.51 C ATOM 585 O TYR A 38 1.191 -0.021 1.520 1.00 24.43 O ATOM 586 CB TYR A 38 3.495 -0.159 3.769 1.00 54.55 C ATOM 587 CG TYR A 38 4.878 0.439 3.695 1.00 72.33 C ATOM 588 CD1 TYR A 38 5.460 0.704 2.465 1.00 52.54 C ATOM 589 CD2 TYR A 38 5.597 0.750 4.842 1.00 11.54 C ATOM 590 CE1 TYR A 38 6.717 1.260 2.375 1.00 53.14 C ATOM 591 CE2 TYR A 38 6.857 1.310 4.760 1.00 53.11 C ATOM 592 CZ TYR A 38 7.411 1.561 3.523 1.00 61.53 C ATOM 593 OH TYR A 38 8.664 2.119 3.431 1.00 54.12 O ATOM 0 H TYR A 38 2.382 1.292 5.453 1.00 64.21 H new ATOM 0 HA TYR A 38 2.805 1.548 2.682 1.00 74.31 H new ATOM 0 HB2 TYR A 38 3.319 -0.532 4.778 1.00 54.55 H new ATOM 0 HB3 TYR A 38 3.438 -1.016 3.098 1.00 54.55 H new ATOM 0 HD1 TYR A 38 4.918 0.470 1.561 1.00 52.54 H new ATOM 0 HD2 TYR A 38 5.165 0.551 5.812 1.00 11.54 H new ATOM 0 HE1 TYR A 38 7.155 1.458 1.408 1.00 53.14 H new ATOM 0 HE2 TYR A 38 7.405 1.550 5.659 1.00 53.11 H new ATOM 0 HH TYR A 38 9.020 2.273 4.331 1.00 54.12 H new ATOM 603 N TYR A 39 0.263 -0.306 3.547 1.00 10.11 N ATOM 604 CA TYR A 39 -0.960 -0.877 3.007 1.00 20.24 C ATOM 605 C TYR A 39 -1.703 0.165 2.174 1.00 70.43 C ATOM 606 O TYR A 39 -2.163 -0.121 1.067 1.00 11.04 O ATOM 607 CB TYR A 39 -1.857 -1.400 4.132 1.00 1.30 C ATOM 608 CG TYR A 39 -3.212 -1.870 3.655 1.00 64.45 C ATOM 609 CD1 TYR A 39 -3.340 -3.030 2.902 1.00 14.42 C ATOM 610 CD2 TYR A 39 -4.361 -1.154 3.957 1.00 42.45 C ATOM 611 CE1 TYR A 39 -4.577 -3.460 2.458 1.00 3.31 C ATOM 612 CE2 TYR A 39 -5.601 -1.579 3.521 1.00 52.55 C ATOM 613 CZ TYR A 39 -5.705 -2.731 2.773 1.00 71.31 C ATOM 614 OH TYR A 39 -6.943 -3.145 2.333 1.00 43.41 O ATOM 0 H TYR A 39 0.306 -0.273 4.566 1.00 10.11 H new ATOM 0 HA TYR A 39 -0.695 -1.717 2.365 1.00 20.24 H new ATOM 0 HB2 TYR A 39 -1.352 -2.225 4.635 1.00 1.30 H new ATOM 0 HB3 TYR A 39 -1.995 -0.612 4.872 1.00 1.30 H new ATOM 0 HD1 TYR A 39 -2.459 -3.606 2.659 1.00 14.42 H new ATOM 0 HD2 TYR A 39 -4.285 -0.250 4.542 1.00 42.45 H new ATOM 0 HE1 TYR A 39 -4.660 -4.361 1.868 1.00 3.31 H new ATOM 0 HE2 TYR A 39 -6.486 -1.010 3.766 1.00 52.55 H new ATOM 0 HH TYR A 39 -7.628 -2.517 2.645 1.00 43.41 H new ATOM 624 N LEU A 40 -1.801 1.376 2.709 1.00 62.22 N ATOM 625 CA LEU A 40 -2.432 2.480 2.000 1.00 64.15 C ATOM 626 C LEU A 40 -1.657 2.816 0.727 1.00 44.44 C ATOM 627 O LEU A 40 -2.252 3.111 -0.311 1.00 1.44 O ATOM 628 CB LEU A 40 -2.527 3.717 2.905 1.00 32.23 C ATOM 629 CG LEU A 40 -3.417 3.559 4.143 1.00 31.04 C ATOM 630 CD1 LEU A 40 -3.368 4.814 5.006 1.00 52.41 C ATOM 631 CD2 LEU A 40 -4.850 3.256 3.731 1.00 15.54 C ATOM 0 H LEU A 40 -1.450 1.618 3.635 1.00 62.22 H new ATOM 0 HA LEU A 40 -3.440 2.174 1.721 1.00 64.15 H new ATOM 0 HB2 LEU A 40 -1.522 3.985 3.232 1.00 32.23 H new ATOM 0 HB3 LEU A 40 -2.902 4.552 2.313 1.00 32.23 H new ATOM 0 HG LEU A 40 -3.039 2.723 4.731 1.00 31.04 H new ATOM 0 HD11 LEU A 40 -4.007 4.680 5.879 1.00 52.41 H new ATOM 0 HD12 LEU A 40 -2.343 4.993 5.330 1.00 52.41 H new ATOM 0 HD13 LEU A 40 -3.719 5.668 4.427 1.00 52.41 H new ATOM 0 HD21 LEU A 40 -5.469 3.147 4.621 1.00 15.54 H new ATOM 0 HD22 LEU A 40 -5.234 4.073 3.120 1.00 15.54 H new ATOM 0 HD23 LEU A 40 -4.875 2.331 3.156 1.00 15.54 H new ATOM 643 N MET A 41 -0.329 2.757 0.809 1.00 32.42 N ATOM 644 CA MET A 41 0.522 3.011 -0.351 1.00 43.02 C ATOM 645 C MET A 41 0.223 1.997 -1.446 1.00 43.54 C ATOM 646 O MET A 41 0.049 2.356 -2.610 1.00 0.45 O ATOM 647 CB MET A 41 2.007 2.949 0.032 1.00 3.54 C ATOM 648 CG MET A 41 2.373 3.867 1.187 1.00 40.31 C ATOM 649 SD MET A 41 4.132 3.877 1.580 1.00 41.45 S ATOM 650 CE MET A 41 4.771 4.898 0.256 1.00 1.34 C ATOM 0 H MET A 41 0.180 2.536 1.665 1.00 32.42 H new ATOM 0 HA MET A 41 0.307 4.014 -0.720 1.00 43.02 H new ATOM 0 HB2 MET A 41 2.263 1.923 0.298 1.00 3.54 H new ATOM 0 HB3 MET A 41 2.610 3.213 -0.837 1.00 3.54 H new ATOM 0 HG2 MET A 41 2.059 4.882 0.945 1.00 40.31 H new ATOM 0 HG3 MET A 41 1.814 3.562 2.072 1.00 40.31 H new ATOM 0 HE1 MET A 41 5.846 5.027 0.382 1.00 1.34 H new ATOM 0 HE2 MET A 41 4.573 4.417 -0.702 1.00 1.34 H new ATOM 0 HE3 MET A 41 4.283 5.873 0.280 1.00 1.34 H new ATOM 660 N GLY A 42 0.138 0.729 -1.054 1.00 0.32 N ATOM 661 CA GLY A 42 -0.189 -0.325 -1.994 1.00 62.42 C ATOM 662 C GLY A 42 -1.549 -0.121 -2.635 1.00 61.24 C ATOM 663 O GLY A 42 -1.725 -0.382 -3.824 1.00 44.55 O ATOM 0 H GLY A 42 0.291 0.413 -0.096 1.00 0.32 H new ATOM 0 HA2 GLY A 42 0.574 -0.366 -2.771 1.00 62.42 H new ATOM 0 HA3 GLY A 42 -0.172 -1.286 -1.480 1.00 62.42 H new ATOM 667 N ASN A 43 -2.511 0.344 -1.841 1.00 41.50 N ATOM 668 CA ASN A 43 -3.848 0.657 -2.346 1.00 71.24 C ATOM 669 C ASN A 43 -3.786 1.756 -3.396 1.00 64.43 C ATOM 670 O ASN A 43 -4.440 1.676 -4.438 1.00 52.05 O ATOM 671 CB ASN A 43 -4.774 1.099 -1.206 1.00 12.31 C ATOM 672 CG ASN A 43 -5.275 -0.053 -0.358 1.00 2.14 C ATOM 673 OD1 ASN A 43 -5.463 -1.166 -0.845 1.00 40.42 O ATOM 674 ND2 ASN A 43 -5.497 0.208 0.921 1.00 34.21 N ATOM 0 H ASN A 43 -2.390 0.513 -0.842 1.00 41.50 H new ATOM 0 HA ASN A 43 -4.247 -0.250 -2.799 1.00 71.24 H new ATOM 0 HB2 ASN A 43 -4.242 1.805 -0.569 1.00 12.31 H new ATOM 0 HB3 ASN A 43 -5.628 1.630 -1.626 1.00 12.31 H new ATOM 0 HD21 ASN A 43 -5.836 -0.528 1.540 1.00 34.21 H new ATOM 0 HD22 ASN A 43 -5.329 1.145 1.287 1.00 34.21 H new ATOM 681 N ALA A 44 -2.992 2.780 -3.116 1.00 72.01 N ATOM 682 CA ALA A 44 -2.837 3.903 -4.027 1.00 14.54 C ATOM 683 C ALA A 44 -2.193 3.455 -5.335 1.00 25.52 C ATOM 684 O ALA A 44 -2.650 3.814 -6.419 1.00 10.32 O ATOM 685 CB ALA A 44 -2.014 5.002 -3.373 1.00 40.15 C ATOM 0 H ALA A 44 -2.443 2.855 -2.260 1.00 72.01 H new ATOM 0 HA ALA A 44 -3.826 4.299 -4.257 1.00 14.54 H new ATOM 0 HB1 ALA A 44 -1.906 5.837 -4.066 1.00 40.15 H new ATOM 0 HB2 ALA A 44 -2.517 5.344 -2.469 1.00 40.15 H new ATOM 0 HB3 ALA A 44 -1.029 4.614 -3.115 1.00 40.15 H new ATOM 691 N TYR A 45 -1.145 2.645 -5.226 1.00 13.21 N ATOM 692 CA TYR A 45 -0.455 2.125 -6.401 1.00 54.22 C ATOM 693 C TYR A 45 -1.361 1.197 -7.206 1.00 23.23 C ATOM 694 O TYR A 45 -1.216 1.080 -8.424 1.00 20.22 O ATOM 695 CB TYR A 45 0.825 1.391 -6.005 1.00 24.32 C ATOM 696 CG TYR A 45 1.972 2.302 -5.634 1.00 52.12 C ATOM 697 CD1 TYR A 45 2.550 3.142 -6.577 1.00 42.02 C ATOM 698 CD2 TYR A 45 2.489 2.309 -4.346 1.00 24.30 C ATOM 699 CE1 TYR A 45 3.610 3.964 -6.246 1.00 72.31 C ATOM 700 CE2 TYR A 45 3.547 3.128 -4.007 1.00 55.11 C ATOM 701 CZ TYR A 45 4.105 3.952 -4.961 1.00 72.43 C ATOM 702 OH TYR A 45 5.163 4.768 -4.629 1.00 73.23 O ATOM 0 H TYR A 45 -0.755 2.334 -4.336 1.00 13.21 H new ATOM 0 HA TYR A 45 -0.189 2.977 -7.027 1.00 54.22 H new ATOM 0 HB2 TYR A 45 0.609 0.736 -5.161 1.00 24.32 H new ATOM 0 HB3 TYR A 45 1.135 0.753 -6.832 1.00 24.32 H new ATOM 0 HD1 TYR A 45 2.164 3.153 -7.586 1.00 42.02 H new ATOM 0 HD2 TYR A 45 2.056 1.663 -3.597 1.00 24.30 H new ATOM 0 HE1 TYR A 45 4.048 4.612 -6.991 1.00 72.31 H new ATOM 0 HE2 TYR A 45 3.936 3.123 -2.999 1.00 55.11 H new ATOM 0 HH TYR A 45 5.391 4.641 -3.684 1.00 73.23 H new ATOM 712 N ARG A 46 -2.293 0.540 -6.522 1.00 54.15 N ATOM 713 CA ARG A 46 -3.267 -0.323 -7.184 1.00 21.54 C ATOM 714 C ARG A 46 -4.154 0.492 -8.120 1.00 31.25 C ATOM 715 O ARG A 46 -4.414 0.088 -9.255 1.00 21.43 O ATOM 716 CB ARG A 46 -4.128 -1.058 -6.149 1.00 35.43 C ATOM 717 CG ARG A 46 -5.160 -1.986 -6.768 1.00 54.50 C ATOM 718 CD ARG A 46 -5.894 -2.800 -5.715 1.00 4.43 C ATOM 719 NE ARG A 46 -6.735 -1.978 -4.846 1.00 5.50 N ATOM 720 CZ ARG A 46 -7.660 -2.478 -4.023 1.00 24.52 C ATOM 721 NH1 ARG A 46 -7.875 -3.789 -3.978 1.00 64.13 N ATOM 722 NH2 ARG A 46 -8.378 -1.668 -3.257 1.00 15.03 N ATOM 0 H ARG A 46 -2.395 0.589 -5.508 1.00 54.15 H new ATOM 0 HA ARG A 46 -2.723 -1.062 -7.772 1.00 21.54 H new ATOM 0 HB2 ARG A 46 -3.478 -1.637 -5.493 1.00 35.43 H new ATOM 0 HB3 ARG A 46 -4.639 -0.324 -5.526 1.00 35.43 H new ATOM 0 HG2 ARG A 46 -5.879 -1.399 -7.340 1.00 54.50 H new ATOM 0 HG3 ARG A 46 -4.668 -2.659 -7.470 1.00 54.50 H new ATOM 0 HD2 ARG A 46 -6.513 -3.549 -6.208 1.00 4.43 H new ATOM 0 HD3 ARG A 46 -5.167 -3.338 -5.106 1.00 4.43 H new ATOM 0 HE ARG A 46 -6.608 -0.966 -4.870 1.00 5.50 H new ATOM 0 HH11 ARG A 46 -7.333 -4.415 -4.573 1.00 64.13 H new ATOM 0 HH12 ARG A 46 -8.582 -4.169 -3.348 1.00 64.13 H new ATOM 0 HH21 ARG A 46 -8.224 -0.660 -3.296 1.00 15.03 H new ATOM 0 HH22 ARG A 46 -9.084 -2.053 -2.629 1.00 15.03 H new ATOM 736 N LYS A 47 -4.599 1.649 -7.641 1.00 70.20 N ATOM 737 CA LYS A 47 -5.434 2.540 -8.440 1.00 1.33 C ATOM 738 C LYS A 47 -4.614 3.208 -9.540 1.00 0.05 C ATOM 739 O LYS A 47 -5.164 3.703 -10.527 1.00 42.43 O ATOM 740 CB LYS A 47 -6.103 3.592 -7.548 1.00 74.54 C ATOM 741 CG LYS A 47 -7.160 3.011 -6.619 1.00 34.30 C ATOM 742 CD LYS A 47 -7.751 4.064 -5.693 1.00 21.02 C ATOM 743 CE LYS A 47 -8.832 3.471 -4.801 1.00 31.45 C ATOM 744 NZ LYS A 47 -10.058 3.109 -5.564 1.00 30.44 N ATOM 0 H LYS A 47 -4.395 1.992 -6.702 1.00 70.20 H new ATOM 0 HA LYS A 47 -6.215 1.945 -8.914 1.00 1.33 H new ATOM 0 HB2 LYS A 47 -5.339 4.091 -6.951 1.00 74.54 H new ATOM 0 HB3 LYS A 47 -6.562 4.353 -8.178 1.00 74.54 H new ATOM 0 HG2 LYS A 47 -7.957 2.563 -7.213 1.00 34.30 H new ATOM 0 HG3 LYS A 47 -6.719 2.212 -6.023 1.00 34.30 H new ATOM 0 HD2 LYS A 47 -6.962 4.493 -5.076 1.00 21.02 H new ATOM 0 HD3 LYS A 47 -8.170 4.878 -6.285 1.00 21.02 H new ATOM 0 HE2 LYS A 47 -8.442 2.584 -4.302 1.00 31.45 H new ATOM 0 HE3 LYS A 47 -9.090 4.188 -4.021 1.00 31.45 H new ATOM 0 HZ1 LYS A 47 -10.812 2.837 -4.901 1.00 30.44 H new ATOM 0 HZ2 LYS A 47 -10.370 3.926 -6.128 1.00 30.44 H new ATOM 0 HZ3 LYS A 47 -9.850 2.311 -6.197 1.00 30.44 H new ATOM 758 N LEU A 48 -3.296 3.228 -9.361 1.00 45.13 N ATOM 759 CA LEU A 48 -2.396 3.710 -10.399 1.00 22.14 C ATOM 760 C LEU A 48 -2.250 2.668 -11.500 1.00 24.31 C ATOM 761 O LEU A 48 -2.387 2.980 -12.681 1.00 42.43 O ATOM 762 CB LEU A 48 -1.019 4.052 -9.825 1.00 20.53 C ATOM 763 CG LEU A 48 -0.975 5.291 -8.930 1.00 13.33 C ATOM 764 CD1 LEU A 48 0.431 5.511 -8.396 1.00 53.24 C ATOM 765 CD2 LEU A 48 -1.459 6.516 -9.695 1.00 71.44 C ATOM 0 H LEU A 48 -2.831 2.916 -8.509 1.00 45.13 H new ATOM 0 HA LEU A 48 -2.829 4.618 -10.818 1.00 22.14 H new ATOM 0 HB2 LEU A 48 -0.660 3.197 -9.252 1.00 20.53 H new ATOM 0 HB3 LEU A 48 -0.324 4.196 -10.652 1.00 20.53 H new ATOM 0 HG LEU A 48 -1.641 5.131 -8.082 1.00 13.33 H new ATOM 0 HD11 LEU A 48 0.445 6.397 -7.761 1.00 53.24 H new ATOM 0 HD12 LEU A 48 0.739 4.642 -7.814 1.00 53.24 H new ATOM 0 HD13 LEU A 48 1.119 5.652 -9.230 1.00 53.24 H new ATOM 0 HD21 LEU A 48 -1.422 7.390 -9.044 1.00 71.44 H new ATOM 0 HD22 LEU A 48 -0.818 6.681 -10.561 1.00 71.44 H new ATOM 0 HD23 LEU A 48 -2.484 6.355 -10.028 1.00 71.44 H new ATOM 777 N GLY A 49 -1.976 1.429 -11.110 1.00 70.31 N ATOM 778 CA GLY A 49 -1.871 0.356 -12.081 1.00 31.00 C ATOM 779 C GLY A 49 -0.546 -0.380 -12.015 1.00 14.33 C ATOM 780 O GLY A 49 -0.321 -1.323 -12.775 1.00 35.31 O ATOM 0 H GLY A 49 -1.825 1.148 -10.141 1.00 70.31 H new ATOM 0 HA2 GLY A 49 -2.682 -0.354 -11.918 1.00 31.00 H new ATOM 0 HA3 GLY A 49 -2.002 0.766 -13.082 1.00 31.00 H new ATOM 784 N ASP A 50 0.332 0.037 -11.115 1.00 22.45 N ATOM 785 CA ASP A 50 1.627 -0.621 -10.969 1.00 43.12 C ATOM 786 C ASP A 50 1.552 -1.662 -9.866 1.00 3.33 C ATOM 787 O ASP A 50 1.466 -1.329 -8.682 1.00 1.04 O ATOM 788 CB ASP A 50 2.735 0.389 -10.663 1.00 72.20 C ATOM 789 CG ASP A 50 4.124 -0.217 -10.797 1.00 13.10 C ATOM 790 OD1 ASP A 50 4.501 -1.065 -9.962 1.00 24.03 O ATOM 791 OD2 ASP A 50 4.848 0.159 -11.739 1.00 71.21 O ATOM 0 H ASP A 50 0.177 0.820 -10.480 1.00 22.45 H new ATOM 0 HA ASP A 50 1.870 -1.107 -11.914 1.00 43.12 H new ATOM 0 HB2 ASP A 50 2.645 1.239 -11.340 1.00 72.20 H new ATOM 0 HB3 ASP A 50 2.605 0.772 -9.651 1.00 72.20 H new ATOM 796 N TRP A 51 1.579 -2.926 -10.261 1.00 10.42 N ATOM 797 CA TRP A 51 1.405 -4.019 -9.318 1.00 44.32 C ATOM 798 C TRP A 51 2.688 -4.299 -8.554 1.00 75.30 C ATOM 799 O TRP A 51 2.652 -4.812 -7.436 1.00 4.20 O ATOM 800 CB TRP A 51 0.925 -5.274 -10.047 1.00 74.31 C ATOM 801 CG TRP A 51 -0.360 -5.044 -10.775 1.00 63.00 C ATOM 802 CD1 TRP A 51 -0.525 -4.908 -12.120 1.00 74.32 C ATOM 803 CD2 TRP A 51 -1.654 -4.885 -10.191 1.00 3.21 C ATOM 804 NE1 TRP A 51 -1.846 -4.682 -12.410 1.00 11.21 N ATOM 805 CE2 TRP A 51 -2.560 -4.662 -11.242 1.00 23.51 C ATOM 806 CE3 TRP A 51 -2.135 -4.915 -8.881 1.00 42.12 C ATOM 807 CZ2 TRP A 51 -3.920 -4.465 -11.022 1.00 53.25 C ATOM 808 CZ3 TRP A 51 -3.483 -4.720 -8.661 1.00 41.52 C ATOM 809 CH2 TRP A 51 -4.365 -4.496 -9.728 1.00 71.11 C ATOM 0 H TRP A 51 1.720 -3.219 -11.228 1.00 10.42 H new ATOM 0 HA TRP A 51 0.647 -3.723 -8.592 1.00 44.32 H new ATOM 0 HB2 TRP A 51 1.689 -5.597 -10.754 1.00 74.31 H new ATOM 0 HB3 TRP A 51 0.794 -6.083 -9.328 1.00 74.31 H new ATOM 0 HD1 TRP A 51 0.268 -4.969 -12.851 1.00 74.32 H new ATOM 0 HE1 TRP A 51 -2.234 -4.550 -13.344 1.00 11.21 H new ATOM 0 HE3 TRP A 51 -1.463 -5.088 -8.053 1.00 42.12 H new ATOM 0 HZ2 TRP A 51 -4.600 -4.294 -11.843 1.00 53.25 H new ATOM 0 HZ3 TRP A 51 -3.865 -4.740 -7.651 1.00 41.52 H new ATOM 0 HH2 TRP A 51 -5.415 -4.345 -9.525 1.00 71.11 H new ATOM 820 N GLN A 52 3.819 -3.934 -9.142 1.00 41.31 N ATOM 821 CA GLN A 52 5.100 -4.152 -8.493 1.00 41.51 C ATOM 822 C GLN A 52 5.251 -3.217 -7.303 1.00 22.05 C ATOM 823 O GLN A 52 5.706 -3.632 -6.237 1.00 45.12 O ATOM 824 CB GLN A 52 6.258 -3.971 -9.475 1.00 35.33 C ATOM 825 CG GLN A 52 6.289 -5.025 -10.572 1.00 51.33 C ATOM 826 CD GLN A 52 6.234 -6.437 -10.017 1.00 74.01 C ATOM 827 OE1 GLN A 52 5.158 -7.002 -9.832 1.00 53.33 O ATOM 828 NE2 GLN A 52 7.389 -7.018 -9.744 1.00 4.52 N ATOM 0 H GLN A 52 3.874 -3.490 -10.059 1.00 41.31 H new ATOM 0 HA GLN A 52 5.130 -5.181 -8.136 1.00 41.51 H new ATOM 0 HB2 GLN A 52 6.187 -2.984 -9.932 1.00 35.33 H new ATOM 0 HB3 GLN A 52 7.199 -4.001 -8.926 1.00 35.33 H new ATOM 0 HG2 GLN A 52 5.447 -4.869 -11.246 1.00 51.33 H new ATOM 0 HG3 GLN A 52 7.197 -4.904 -11.163 1.00 51.33 H new ATOM 0 HE21 GLN A 52 8.263 -6.519 -9.910 1.00 4.52 H new ATOM 0 HE22 GLN A 52 7.407 -7.966 -9.367 1.00 4.52 H new ATOM 837 N LYS A 53 4.854 -1.961 -7.480 1.00 52.23 N ATOM 838 CA LYS A 53 4.864 -1.006 -6.379 1.00 1.22 C ATOM 839 C LYS A 53 3.983 -1.515 -5.251 1.00 62.30 C ATOM 840 O LYS A 53 4.382 -1.517 -4.089 1.00 0.10 O ATOM 841 CB LYS A 53 4.348 0.369 -6.816 1.00 32.34 C ATOM 842 CG LYS A 53 5.129 1.061 -7.927 1.00 22.12 C ATOM 843 CD LYS A 53 6.592 1.275 -7.583 1.00 30.23 C ATOM 844 CE LYS A 53 7.437 0.087 -7.995 1.00 32.35 C ATOM 845 NZ LYS A 53 7.297 -0.207 -9.447 1.00 44.11 N ATOM 0 H LYS A 53 4.524 -1.583 -8.368 1.00 52.23 H new ATOM 0 HA LYS A 53 5.897 -0.902 -6.046 1.00 1.22 H new ATOM 0 HB2 LYS A 53 3.314 0.259 -7.142 1.00 32.34 H new ATOM 0 HB3 LYS A 53 4.339 1.024 -5.945 1.00 32.34 H new ATOM 0 HG2 LYS A 53 5.059 0.465 -8.837 1.00 22.12 H new ATOM 0 HG3 LYS A 53 4.668 2.025 -8.141 1.00 22.12 H new ATOM 0 HD2 LYS A 53 6.957 2.173 -8.082 1.00 30.23 H new ATOM 0 HD3 LYS A 53 6.694 1.442 -6.511 1.00 30.23 H new ATOM 0 HE2 LYS A 53 8.483 0.286 -7.763 1.00 32.35 H new ATOM 0 HE3 LYS A 53 7.142 -0.788 -7.416 1.00 32.35 H new ATOM 0 HZ1 LYS A 53 8.132 -0.731 -9.777 1.00 44.11 H new ATOM 0 HZ2 LYS A 53 6.444 -0.780 -9.604 1.00 44.11 H new ATOM 0 HZ3 LYS A 53 7.217 0.685 -9.976 1.00 44.11 H new ATOM 859 N ALA A 54 2.788 -1.966 -5.613 1.00 1.44 N ATOM 860 CA ALA A 54 1.831 -2.468 -4.639 1.00 65.41 C ATOM 861 C ALA A 54 2.405 -3.653 -3.868 1.00 44.14 C ATOM 862 O ALA A 54 2.417 -3.651 -2.640 1.00 32.33 O ATOM 863 CB ALA A 54 0.535 -2.862 -5.330 1.00 33.55 C ATOM 0 H ALA A 54 2.459 -1.994 -6.578 1.00 1.44 H new ATOM 0 HA ALA A 54 1.621 -1.671 -3.925 1.00 65.41 H new ATOM 0 HB1 ALA A 54 -0.173 -3.236 -4.590 1.00 33.55 H new ATOM 0 HB2 ALA A 54 0.111 -1.992 -5.831 1.00 33.55 H new ATOM 0 HB3 ALA A 54 0.737 -3.641 -6.065 1.00 33.55 H new ATOM 869 N LEU A 55 2.905 -4.647 -4.597 1.00 4.14 N ATOM 870 CA LEU A 55 3.444 -5.861 -3.985 1.00 61.42 C ATOM 871 C LEU A 55 4.619 -5.557 -3.062 1.00 53.33 C ATOM 872 O LEU A 55 4.718 -6.119 -1.970 1.00 50.12 O ATOM 873 CB LEU A 55 3.872 -6.854 -5.067 1.00 72.31 C ATOM 874 CG LEU A 55 2.722 -7.499 -5.836 1.00 41.14 C ATOM 875 CD1 LEU A 55 3.252 -8.330 -6.990 1.00 14.15 C ATOM 876 CD2 LEU A 55 1.886 -8.362 -4.908 1.00 21.30 C ATOM 0 H LEU A 55 2.949 -4.637 -5.616 1.00 4.14 H new ATOM 0 HA LEU A 55 2.652 -6.303 -3.380 1.00 61.42 H new ATOM 0 HB2 LEU A 55 4.521 -6.340 -5.776 1.00 72.31 H new ATOM 0 HB3 LEU A 55 4.467 -7.641 -4.603 1.00 72.31 H new ATOM 0 HG LEU A 55 2.092 -6.707 -6.241 1.00 41.14 H new ATOM 0 HD11 LEU A 55 2.418 -8.782 -7.526 1.00 14.15 H new ATOM 0 HD12 LEU A 55 3.817 -7.691 -7.669 1.00 14.15 H new ATOM 0 HD13 LEU A 55 3.903 -9.115 -6.604 1.00 14.15 H new ATOM 0 HD21 LEU A 55 1.070 -8.816 -5.470 1.00 21.30 H new ATOM 0 HD22 LEU A 55 2.510 -9.146 -4.479 1.00 21.30 H new ATOM 0 HD23 LEU A 55 1.477 -7.745 -4.108 1.00 21.30 H new ATOM 888 N ASN A 56 5.503 -4.669 -3.497 1.00 4.25 N ATOM 889 CA ASN A 56 6.661 -4.291 -2.693 1.00 3.35 C ATOM 890 C ASN A 56 6.228 -3.564 -1.425 1.00 45.13 C ATOM 891 O ASN A 56 6.694 -3.879 -0.331 1.00 2.14 O ATOM 892 CB ASN A 56 7.626 -3.419 -3.501 1.00 42.11 C ATOM 893 CG ASN A 56 8.563 -4.235 -4.377 1.00 52.35 C ATOM 894 OD1 ASN A 56 9.652 -4.617 -3.950 1.00 44.33 O ATOM 895 ND2 ASN A 56 8.156 -4.503 -5.610 1.00 24.14 N ATOM 0 H ASN A 56 5.442 -4.197 -4.399 1.00 4.25 H new ATOM 0 HA ASN A 56 7.180 -5.205 -2.406 1.00 3.35 H new ATOM 0 HB2 ASN A 56 7.053 -2.735 -4.128 1.00 42.11 H new ATOM 0 HB3 ASN A 56 8.215 -2.807 -2.818 1.00 42.11 H new ATOM 0 HD21 ASN A 56 8.752 -5.042 -6.238 1.00 24.14 H new ATOM 0 HD22 ASN A 56 7.247 -4.170 -5.931 1.00 24.14 H new ATOM 902 N ASN A 57 5.320 -2.604 -1.576 1.00 41.42 N ATOM 903 CA ASN A 57 4.818 -1.840 -0.437 1.00 34.40 C ATOM 904 C ASN A 57 4.028 -2.731 0.513 1.00 53.24 C ATOM 905 O ASN A 57 4.095 -2.560 1.731 1.00 25.23 O ATOM 906 CB ASN A 57 3.958 -0.658 -0.900 1.00 5.41 C ATOM 907 CG ASN A 57 4.790 0.539 -1.329 1.00 52.11 C ATOM 908 OD1 ASN A 57 5.100 1.411 -0.524 1.00 24.33 O ATOM 909 ND2 ASN A 57 5.159 0.592 -2.598 1.00 52.31 N ATOM 0 H ASN A 57 4.917 -2.337 -2.474 1.00 41.42 H new ATOM 0 HA ASN A 57 5.680 -1.445 0.100 1.00 34.40 H new ATOM 0 HB2 ASN A 57 3.329 -0.975 -1.732 1.00 5.41 H new ATOM 0 HB3 ASN A 57 3.291 -0.361 -0.091 1.00 5.41 H new ATOM 0 HD21 ASN A 57 5.719 1.376 -2.934 1.00 52.31 H new ATOM 0 HD22 ASN A 57 4.884 -0.151 -3.241 1.00 52.31 H new ATOM 916 N TYR A 58 3.288 -3.691 -0.041 1.00 43.22 N ATOM 917 CA TYR A 58 2.568 -4.661 0.780 1.00 53.21 C ATOM 918 C TYR A 58 3.544 -5.434 1.657 1.00 45.40 C ATOM 919 O TYR A 58 3.348 -5.541 2.863 1.00 24.13 O ATOM 920 CB TYR A 58 1.763 -5.647 -0.078 1.00 53.41 C ATOM 921 CG TYR A 58 0.536 -5.053 -0.742 1.00 40.42 C ATOM 922 CD1 TYR A 58 -0.092 -3.926 -0.225 1.00 70.22 C ATOM 923 CD2 TYR A 58 0.000 -5.634 -1.886 1.00 51.20 C ATOM 924 CE1 TYR A 58 -1.215 -3.392 -0.832 1.00 10.42 C ATOM 925 CE2 TYR A 58 -1.121 -5.104 -2.499 1.00 41.14 C ATOM 926 CZ TYR A 58 -1.725 -3.985 -1.970 1.00 62.11 C ATOM 927 OH TYR A 58 -2.845 -3.461 -2.581 1.00 44.52 O ATOM 0 H TYR A 58 3.172 -3.817 -1.047 1.00 43.22 H new ATOM 0 HA TYR A 58 1.870 -4.104 1.405 1.00 53.21 H new ATOM 0 HB2 TYR A 58 2.416 -6.053 -0.850 1.00 53.41 H new ATOM 0 HB3 TYR A 58 1.452 -6.483 0.549 1.00 53.41 H new ATOM 0 HD1 TYR A 58 0.303 -3.459 0.665 1.00 70.22 H new ATOM 0 HD2 TYR A 58 0.467 -6.514 -2.303 1.00 51.20 H new ATOM 0 HE1 TYR A 58 -1.690 -2.515 -0.418 1.00 10.42 H new ATOM 0 HE2 TYR A 58 -1.521 -5.566 -3.389 1.00 41.14 H new ATOM 0 HH TYR A 58 -3.069 -3.998 -3.369 1.00 44.52 H new ATOM 937 N GLN A 59 4.610 -5.952 1.042 1.00 61.40 N ATOM 938 CA GLN A 59 5.626 -6.719 1.764 1.00 34.44 C ATOM 939 C GLN A 59 6.267 -5.894 2.870 1.00 53.14 C ATOM 940 O GLN A 59 6.544 -6.407 3.954 1.00 2.31 O ATOM 941 CB GLN A 59 6.700 -7.233 0.805 1.00 2.43 C ATOM 942 CG GLN A 59 6.290 -8.493 0.071 1.00 11.35 C ATOM 943 CD GLN A 59 6.154 -9.685 1.002 1.00 13.31 C ATOM 944 OE1 GLN A 59 5.321 -10.560 0.786 1.00 1.44 O ATOM 945 NE2 GLN A 59 6.980 -9.736 2.037 1.00 42.52 N ATOM 0 H GLN A 59 4.791 -5.853 0.043 1.00 61.40 H new ATOM 0 HA GLN A 59 5.125 -7.571 2.223 1.00 34.44 H new ATOM 0 HB2 GLN A 59 6.931 -6.455 0.077 1.00 2.43 H new ATOM 0 HB3 GLN A 59 7.615 -7.428 1.365 1.00 2.43 H new ATOM 0 HG2 GLN A 59 5.341 -8.322 -0.437 1.00 11.35 H new ATOM 0 HG3 GLN A 59 7.028 -8.719 -0.699 1.00 11.35 H new ATOM 0 HE21 GLN A 59 7.660 -8.990 2.184 1.00 42.52 H new ATOM 0 HE22 GLN A 59 6.936 -10.521 2.686 1.00 42.52 H new ATOM 954 N SER A 60 6.494 -4.618 2.593 1.00 60.13 N ATOM 955 CA SER A 60 7.056 -3.712 3.580 1.00 15.11 C ATOM 956 C SER A 60 6.169 -3.653 4.828 1.00 74.42 C ATOM 957 O SER A 60 6.670 -3.601 5.949 1.00 44.11 O ATOM 958 CB SER A 60 7.225 -2.320 2.974 1.00 12.05 C ATOM 959 OG SER A 60 8.063 -2.361 1.828 1.00 23.53 O ATOM 0 H SER A 60 6.296 -4.187 1.690 1.00 60.13 H new ATOM 0 HA SER A 60 8.035 -4.086 3.880 1.00 15.11 H new ATOM 0 HB2 SER A 60 6.249 -1.918 2.701 1.00 12.05 H new ATOM 0 HB3 SER A 60 7.652 -1.646 3.717 1.00 12.05 H new ATOM 0 HG SER A 60 7.597 -2.820 1.098 1.00 23.53 H new ATOM 965 N ALA A 61 4.854 -3.673 4.623 1.00 30.42 N ATOM 966 CA ALA A 61 3.903 -3.691 5.730 1.00 3.31 C ATOM 967 C ALA A 61 3.835 -5.076 6.371 1.00 54.13 C ATOM 968 O ALA A 61 3.834 -5.205 7.596 1.00 74.44 O ATOM 969 CB ALA A 61 2.525 -3.264 5.248 1.00 13.34 C ATOM 0 H ALA A 61 4.423 -3.677 3.699 1.00 30.42 H new ATOM 0 HA ALA A 61 4.247 -2.984 6.485 1.00 3.31 H new ATOM 0 HB1 ALA A 61 1.826 -3.282 6.084 1.00 13.34 H new ATOM 0 HB2 ALA A 61 2.579 -2.254 4.841 1.00 13.34 H new ATOM 0 HB3 ALA A 61 2.182 -3.950 4.473 1.00 13.34 H new ATOM 975 N ILE A 62 3.795 -6.106 5.527 1.00 53.15 N ATOM 976 CA ILE A 62 3.686 -7.494 5.977 1.00 14.31 C ATOM 977 C ILE A 62 4.826 -7.872 6.917 1.00 5.31 C ATOM 978 O ILE A 62 4.616 -8.521 7.945 1.00 31.33 O ATOM 979 CB ILE A 62 3.684 -8.465 4.772 1.00 43.24 C ATOM 980 CG1 ILE A 62 2.463 -8.209 3.880 1.00 15.43 C ATOM 981 CG2 ILE A 62 3.703 -9.913 5.246 1.00 12.03 C ATOM 982 CD1 ILE A 62 2.438 -9.048 2.621 1.00 55.03 C ATOM 0 H ILE A 62 3.837 -6.003 4.513 1.00 53.15 H new ATOM 0 HA ILE A 62 2.743 -7.578 6.517 1.00 14.31 H new ATOM 0 HB ILE A 62 4.586 -8.285 4.186 1.00 43.24 H new ATOM 0 HG12 ILE A 62 1.558 -8.406 4.454 1.00 15.43 H new ATOM 0 HG13 ILE A 62 2.442 -7.155 3.603 1.00 15.43 H new ATOM 0 HG21 ILE A 62 3.701 -10.578 4.383 1.00 12.03 H new ATOM 0 HG22 ILE A 62 4.600 -10.090 5.839 1.00 12.03 H new ATOM 0 HG23 ILE A 62 2.821 -10.108 5.856 1.00 12.03 H new ATOM 0 HD11 ILE A 62 1.545 -8.810 2.043 1.00 55.03 H new ATOM 0 HD12 ILE A 62 3.324 -8.834 2.024 1.00 55.03 H new ATOM 0 HD13 ILE A 62 2.427 -10.105 2.888 1.00 55.03 H new ATOM 994 N GLU A 63 6.034 -7.455 6.571 1.00 2.02 N ATOM 995 CA GLU A 63 7.211 -7.811 7.345 1.00 41.55 C ATOM 996 C GLU A 63 7.321 -6.971 8.616 1.00 33.44 C ATOM 997 O GLU A 63 8.139 -7.260 9.490 1.00 64.33 O ATOM 998 CB GLU A 63 8.463 -7.682 6.478 1.00 11.20 C ATOM 999 CG GLU A 63 8.494 -8.698 5.344 1.00 0.04 C ATOM 1000 CD GLU A 63 9.692 -8.548 4.433 1.00 34.12 C ATOM 1001 OE1 GLU A 63 10.835 -8.595 4.933 1.00 62.03 O ATOM 1002 OE2 GLU A 63 9.493 -8.398 3.208 1.00 71.43 O ATOM 0 H GLU A 63 6.224 -6.869 5.758 1.00 2.02 H new ATOM 0 HA GLU A 63 7.115 -8.850 7.661 1.00 41.55 H new ATOM 0 HB2 GLU A 63 8.511 -6.676 6.061 1.00 11.20 H new ATOM 0 HB3 GLU A 63 9.348 -7.811 7.101 1.00 11.20 H new ATOM 0 HG2 GLU A 63 8.492 -9.703 5.767 1.00 0.04 H new ATOM 0 HG3 GLU A 63 7.583 -8.599 4.753 1.00 0.04 H new ATOM 1009 N LEU A 64 6.492 -5.939 8.723 1.00 0.51 N ATOM 1010 CA LEU A 64 6.425 -5.144 9.943 1.00 11.12 C ATOM 1011 C LEU A 64 5.350 -5.699 10.869 1.00 44.22 C ATOM 1012 O LEU A 64 5.610 -5.995 12.036 1.00 21.31 O ATOM 1013 CB LEU A 64 6.130 -3.676 9.631 1.00 31.43 C ATOM 1014 CG LEU A 64 7.214 -2.942 8.841 1.00 51.24 C ATOM 1015 CD1 LEU A 64 6.818 -1.491 8.625 1.00 63.35 C ATOM 1016 CD2 LEU A 64 8.557 -3.030 9.552 1.00 54.13 C ATOM 0 H LEU A 64 5.860 -5.634 7.983 1.00 0.51 H new ATOM 0 HA LEU A 64 7.395 -5.201 10.436 1.00 11.12 H new ATOM 0 HB2 LEU A 64 5.197 -3.622 9.071 1.00 31.43 H new ATOM 0 HB3 LEU A 64 5.969 -3.148 10.571 1.00 31.43 H new ATOM 0 HG LEU A 64 7.315 -3.424 7.869 1.00 51.24 H new ATOM 0 HD11 LEU A 64 7.599 -0.981 8.061 1.00 63.35 H new ATOM 0 HD12 LEU A 64 5.882 -1.448 8.068 1.00 63.35 H new ATOM 0 HD13 LEU A 64 6.689 -1.002 9.590 1.00 63.35 H new ATOM 0 HD21 LEU A 64 9.312 -2.500 8.971 1.00 54.13 H new ATOM 0 HD22 LEU A 64 8.476 -2.577 10.540 1.00 54.13 H new ATOM 0 HD23 LEU A 64 8.846 -4.076 9.655 1.00 54.13 H new ATOM 1028 N ASN A 65 4.143 -5.843 10.338 1.00 54.20 N ATOM 1029 CA ASN A 65 3.033 -6.406 11.092 1.00 52.20 C ATOM 1030 C ASN A 65 2.540 -7.681 10.419 1.00 50.41 C ATOM 1031 O ASN A 65 1.987 -7.639 9.318 1.00 3.34 O ATOM 1032 CB ASN A 65 1.894 -5.386 11.227 1.00 31.41 C ATOM 1033 CG ASN A 65 0.646 -5.963 11.878 1.00 33.14 C ATOM 1034 OD1 ASN A 65 0.711 -6.915 12.661 1.00 61.24 O ATOM 1035 ND2 ASN A 65 -0.502 -5.379 11.572 1.00 12.30 N ATOM 0 H ASN A 65 3.908 -5.576 9.382 1.00 54.20 H new ATOM 0 HA ASN A 65 3.381 -6.653 12.095 1.00 52.20 H new ATOM 0 HB2 ASN A 65 2.243 -4.537 11.815 1.00 31.41 H new ATOM 0 HB3 ASN A 65 1.637 -5.005 10.239 1.00 31.41 H new ATOM 0 HD21 ASN A 65 -1.371 -5.714 11.988 1.00 12.30 H new ATOM 0 HD22 ASN A 65 -0.517 -4.594 10.921 1.00 12.30 H new ATOM 1042 N PRO A 66 2.747 -8.832 11.085 1.00 41.53 N ATOM 1043 CA PRO A 66 2.407 -10.155 10.543 1.00 25.02 C ATOM 1044 C PRO A 66 0.918 -10.327 10.258 1.00 10.40 C ATOM 1045 O PRO A 66 0.525 -11.218 9.500 1.00 30.14 O ATOM 1046 CB PRO A 66 2.847 -11.125 11.646 1.00 54.00 C ATOM 1047 CG PRO A 66 3.811 -10.355 12.478 1.00 14.24 C ATOM 1048 CD PRO A 66 3.341 -8.933 12.429 1.00 13.25 C ATOM 0 HA PRO A 66 2.895 -10.320 9.582 1.00 25.02 H new ATOM 0 HB2 PRO A 66 1.996 -11.461 12.238 1.00 54.00 H new ATOM 0 HB3 PRO A 66 3.313 -12.016 11.225 1.00 54.00 H new ATOM 0 HG2 PRO A 66 3.829 -10.727 13.502 1.00 14.24 H new ATOM 0 HG3 PRO A 66 4.825 -10.446 12.088 1.00 14.24 H new ATOM 0 HD2 PRO A 66 2.611 -8.721 13.211 1.00 13.25 H new ATOM 0 HD3 PRO A 66 4.164 -8.230 12.562 1.00 13.25 H new ATOM 1056 N ASP A 67 0.091 -9.493 10.869 1.00 73.22 N ATOM 1057 CA ASP A 67 -1.337 -9.534 10.609 1.00 20.31 C ATOM 1058 C ASP A 67 -1.820 -8.178 10.123 1.00 25.44 C ATOM 1059 O ASP A 67 -2.458 -7.426 10.856 1.00 54.24 O ATOM 1060 CB ASP A 67 -2.126 -9.964 11.849 1.00 60.14 C ATOM 1061 CG ASP A 67 -3.564 -10.322 11.518 1.00 0.31 C ATOM 1062 OD1 ASP A 67 -3.806 -11.484 11.128 1.00 70.33 O ATOM 1063 OD2 ASP A 67 -4.455 -9.452 11.646 1.00 74.21 O ATOM 0 H ASP A 67 0.382 -8.785 11.543 1.00 73.22 H new ATOM 0 HA ASP A 67 -1.512 -10.278 9.832 1.00 20.31 H new ATOM 0 HB2 ASP A 67 -1.636 -10.822 12.310 1.00 60.14 H new ATOM 0 HB3 ASP A 67 -2.114 -9.158 12.583 1.00 60.14 H new ATOM 1068 N SER A 68 -1.456 -7.850 8.900 1.00 32.41 N ATOM 1069 CA SER A 68 -1.903 -6.621 8.281 1.00 32.32 C ATOM 1070 C SER A 68 -2.738 -6.945 7.049 1.00 13.31 C ATOM 1071 O SER A 68 -2.558 -7.999 6.431 1.00 70.43 O ATOM 1072 CB SER A 68 -0.694 -5.751 7.917 1.00 45.21 C ATOM 1073 OG SER A 68 0.304 -6.511 7.259 1.00 32.31 O ATOM 0 H SER A 68 -0.848 -8.422 8.313 1.00 32.41 H new ATOM 0 HA SER A 68 -2.524 -6.061 8.980 1.00 32.32 H new ATOM 0 HB2 SER A 68 -1.013 -4.931 7.274 1.00 45.21 H new ATOM 0 HB3 SER A 68 -0.278 -5.305 8.820 1.00 45.21 H new ATOM 0 HG SER A 68 0.901 -6.913 7.924 1.00 32.31 H new ATOM 1079 N PRO A 69 -3.676 -6.063 6.678 1.00 42.22 N ATOM 1080 CA PRO A 69 -4.531 -6.270 5.504 1.00 65.03 C ATOM 1081 C PRO A 69 -3.719 -6.375 4.212 1.00 63.14 C ATOM 1082 O PRO A 69 -4.215 -6.852 3.191 1.00 33.14 O ATOM 1083 CB PRO A 69 -5.433 -5.030 5.481 1.00 33.32 C ATOM 1084 CG PRO A 69 -4.744 -4.024 6.339 1.00 43.14 C ATOM 1085 CD PRO A 69 -3.992 -4.805 7.375 1.00 33.24 C ATOM 0 HA PRO A 69 -5.088 -7.205 5.567 1.00 65.03 H new ATOM 0 HB2 PRO A 69 -5.563 -4.657 4.465 1.00 33.32 H new ATOM 0 HB3 PRO A 69 -6.427 -5.260 5.865 1.00 33.32 H new ATOM 0 HG2 PRO A 69 -4.067 -3.407 5.749 1.00 43.14 H new ATOM 0 HG3 PRO A 69 -5.464 -3.351 6.805 1.00 43.14 H new ATOM 0 HD2 PRO A 69 -3.090 -4.284 7.697 1.00 33.24 H new ATOM 0 HD3 PRO A 69 -4.595 -4.978 8.266 1.00 33.24 H new ATOM 1093 N ALA A 70 -2.458 -5.950 4.276 1.00 32.51 N ATOM 1094 CA ALA A 70 -1.553 -6.008 3.132 1.00 11.02 C ATOM 1095 C ALA A 70 -1.324 -7.448 2.678 1.00 64.42 C ATOM 1096 O ALA A 70 -1.015 -7.701 1.516 1.00 34.05 O ATOM 1097 CB ALA A 70 -0.229 -5.340 3.473 1.00 33.23 C ATOM 0 H ALA A 70 -2.038 -5.558 5.119 1.00 32.51 H new ATOM 0 HA ALA A 70 -2.018 -5.469 2.307 1.00 11.02 H new ATOM 0 HB1 ALA A 70 0.437 -5.390 2.611 1.00 33.23 H new ATOM 0 HB2 ALA A 70 -0.405 -4.297 3.735 1.00 33.23 H new ATOM 0 HB3 ALA A 70 0.231 -5.854 4.317 1.00 33.23 H new ATOM 1103 N LEU A 71 -1.494 -8.390 3.599 1.00 45.21 N ATOM 1104 CA LEU A 71 -1.341 -9.803 3.279 1.00 1.20 C ATOM 1105 C LEU A 71 -2.448 -10.248 2.339 1.00 51.42 C ATOM 1106 O LEU A 71 -2.206 -10.911 1.328 1.00 64.03 O ATOM 1107 CB LEU A 71 -1.392 -10.667 4.543 1.00 3.54 C ATOM 1108 CG LEU A 71 -0.086 -10.793 5.331 1.00 31.12 C ATOM 1109 CD1 LEU A 71 0.211 -9.520 6.100 1.00 51.20 C ATOM 1110 CD2 LEU A 71 -0.150 -11.984 6.273 1.00 74.25 C ATOM 0 H LEU A 71 -1.737 -8.201 4.571 1.00 45.21 H new ATOM 0 HA LEU A 71 -0.369 -9.930 2.802 1.00 1.20 H new ATOM 0 HB2 LEU A 71 -2.154 -10.258 5.207 1.00 3.54 H new ATOM 0 HB3 LEU A 71 -1.719 -11.668 4.261 1.00 3.54 H new ATOM 0 HG LEU A 71 0.725 -10.953 4.621 1.00 31.12 H new ATOM 0 HD11 LEU A 71 1.144 -9.637 6.651 1.00 51.20 H new ATOM 0 HD12 LEU A 71 0.303 -8.687 5.403 1.00 51.20 H new ATOM 0 HD13 LEU A 71 -0.601 -9.320 6.800 1.00 51.20 H new ATOM 0 HD21 LEU A 71 0.786 -12.061 6.827 1.00 74.25 H new ATOM 0 HD22 LEU A 71 -0.975 -11.851 6.972 1.00 74.25 H new ATOM 0 HD23 LEU A 71 -0.306 -12.896 5.697 1.00 74.25 H new ATOM 1122 N GLN A 72 -3.668 -9.859 2.677 1.00 42.44 N ATOM 1123 CA GLN A 72 -4.839 -10.253 1.911 1.00 61.40 C ATOM 1124 C GLN A 72 -4.823 -9.546 0.566 1.00 41.14 C ATOM 1125 O GLN A 72 -5.249 -10.093 -0.450 1.00 73.22 O ATOM 1126 CB GLN A 72 -6.118 -9.897 2.676 1.00 11.32 C ATOM 1127 CG GLN A 72 -6.104 -10.316 4.141 1.00 4.12 C ATOM 1128 CD GLN A 72 -5.904 -11.808 4.334 1.00 11.23 C ATOM 1129 OE1 GLN A 72 -6.862 -12.575 4.364 1.00 44.12 O ATOM 1130 NE2 GLN A 72 -4.654 -12.230 4.494 1.00 62.14 N ATOM 0 H GLN A 72 -3.873 -9.267 3.482 1.00 42.44 H new ATOM 0 HA GLN A 72 -4.818 -11.331 1.754 1.00 61.40 H new ATOM 0 HB2 GLN A 72 -6.275 -8.820 2.619 1.00 11.32 H new ATOM 0 HB3 GLN A 72 -6.967 -10.369 2.182 1.00 11.32 H new ATOM 0 HG2 GLN A 72 -5.309 -9.779 4.658 1.00 4.12 H new ATOM 0 HG3 GLN A 72 -7.044 -10.019 4.606 1.00 4.12 H new ATOM 0 HE21 GLN A 72 -3.883 -11.563 4.463 1.00 62.14 H new ATOM 0 HE22 GLN A 72 -4.466 -13.221 4.648 1.00 62.14 H new ATOM 1139 N ALA A 73 -4.296 -8.330 0.576 1.00 71.54 N ATOM 1140 CA ALA A 73 -4.191 -7.526 -0.629 1.00 24.04 C ATOM 1141 C ALA A 73 -3.145 -8.098 -1.577 1.00 5.34 C ATOM 1142 O ALA A 73 -3.296 -8.022 -2.796 1.00 15.12 O ATOM 1143 CB ALA A 73 -3.866 -6.085 -0.272 1.00 73.14 C ATOM 0 H ALA A 73 -3.932 -7.877 1.414 1.00 71.54 H new ATOM 0 HA ALA A 73 -5.152 -7.548 -1.142 1.00 24.04 H new ATOM 0 HB1 ALA A 73 -3.790 -5.493 -1.184 1.00 73.14 H new ATOM 0 HB2 ALA A 73 -4.657 -5.679 0.359 1.00 73.14 H new ATOM 0 HB3 ALA A 73 -2.918 -6.048 0.265 1.00 73.14 H new ATOM 1149 N ARG A 74 -2.085 -8.684 -1.023 1.00 42.32 N ATOM 1150 CA ARG A 74 -1.054 -9.297 -1.850 1.00 4.03 C ATOM 1151 C ARG A 74 -1.611 -10.521 -2.569 1.00 34.41 C ATOM 1152 O ARG A 74 -1.274 -10.778 -3.727 1.00 44.44 O ATOM 1153 CB ARG A 74 0.177 -9.687 -1.028 1.00 73.24 C ATOM 1154 CG ARG A 74 1.341 -10.141 -1.899 1.00 13.33 C ATOM 1155 CD ARG A 74 2.549 -10.572 -1.087 1.00 25.05 C ATOM 1156 NE ARG A 74 3.685 -10.898 -1.952 1.00 61.01 N ATOM 1157 CZ ARG A 74 4.418 -12.008 -1.852 1.00 60.02 C ATOM 1158 NH1 ARG A 74 4.173 -12.894 -0.891 1.00 22.14 N ATOM 1159 NH2 ARG A 74 5.413 -12.215 -2.707 1.00 43.42 N ATOM 0 H ARG A 74 -1.921 -8.746 -0.018 1.00 42.32 H new ATOM 0 HA ARG A 74 -0.741 -8.557 -2.586 1.00 4.03 H new ATOM 0 HB2 ARG A 74 0.490 -8.836 -0.423 1.00 73.24 H new ATOM 0 HB3 ARG A 74 -0.090 -10.487 -0.338 1.00 73.24 H new ATOM 0 HG2 ARG A 74 1.017 -10.970 -2.528 1.00 13.33 H new ATOM 0 HG3 ARG A 74 1.628 -9.328 -2.566 1.00 13.33 H new ATOM 0 HD2 ARG A 74 2.830 -9.775 -0.399 1.00 25.05 H new ATOM 0 HD3 ARG A 74 2.291 -11.440 -0.480 1.00 25.05 H new ATOM 0 HE ARG A 74 3.933 -10.230 -2.682 1.00 61.01 H new ATOM 0 HH11 ARG A 74 3.420 -12.727 -0.224 1.00 22.14 H new ATOM 0 HH12 ARG A 74 4.738 -13.740 -0.821 1.00 22.14 H new ATOM 0 HH21 ARG A 74 5.612 -11.528 -3.434 1.00 43.42 H new ATOM 0 HH22 ARG A 74 5.978 -13.061 -2.637 1.00 43.42 H new ATOM 1173 N LYS A 75 -2.469 -11.271 -1.879 1.00 2.45 N ATOM 1174 CA LYS A 75 -3.158 -12.400 -2.501 1.00 73.33 C ATOM 1175 C LYS A 75 -3.965 -11.907 -3.691 1.00 43.14 C ATOM 1176 O LYS A 75 -3.920 -12.490 -4.774 1.00 53.14 O ATOM 1177 CB LYS A 75 -4.105 -13.081 -1.514 1.00 31.22 C ATOM 1178 CG LYS A 75 -3.441 -13.619 -0.262 1.00 22.10 C ATOM 1179 CD LYS A 75 -4.462 -14.337 0.599 1.00 31.33 C ATOM 1180 CE LYS A 75 -3.871 -14.828 1.905 1.00 32.42 C ATOM 1181 NZ LYS A 75 -4.881 -15.572 2.702 1.00 73.42 N ATOM 0 H LYS A 75 -2.702 -11.119 -0.898 1.00 2.45 H new ATOM 0 HA LYS A 75 -2.406 -13.121 -2.821 1.00 73.33 H new ATOM 0 HB2 LYS A 75 -4.876 -12.368 -1.221 1.00 31.22 H new ATOM 0 HB3 LYS A 75 -4.608 -13.903 -2.023 1.00 31.22 H new ATOM 0 HG2 LYS A 75 -2.636 -14.302 -0.532 1.00 22.10 H new ATOM 0 HG3 LYS A 75 -2.990 -12.801 0.300 1.00 22.10 H new ATOM 0 HD2 LYS A 75 -5.294 -13.664 0.809 1.00 31.33 H new ATOM 0 HD3 LYS A 75 -4.869 -15.184 0.046 1.00 31.33 H new ATOM 0 HE2 LYS A 75 -3.016 -15.473 1.701 1.00 32.42 H new ATOM 0 HE3 LYS A 75 -3.500 -13.981 2.482 1.00 32.42 H new ATOM 0 HZ1 LYS A 75 -4.451 -15.897 3.591 1.00 73.42 H new ATOM 0 HZ2 LYS A 75 -5.685 -14.947 2.915 1.00 73.42 H new ATOM 0 HZ3 LYS A 75 -5.216 -16.393 2.159 1.00 73.42 H new ATOM 1195 N MET A 76 -4.680 -10.811 -3.464 1.00 1.42 N ATOM 1196 CA MET A 76 -5.514 -10.181 -4.480 1.00 4.45 C ATOM 1197 C MET A 76 -4.699 -9.893 -5.737 1.00 64.24 C ATOM 1198 O MET A 76 -5.110 -10.234 -6.846 1.00 22.40 O ATOM 1199 CB MET A 76 -6.101 -8.882 -3.904 1.00 75.00 C ATOM 1200 CG MET A 76 -7.151 -8.197 -4.771 1.00 11.34 C ATOM 1201 SD MET A 76 -6.474 -7.391 -6.239 1.00 71.03 S ATOM 1202 CE MET A 76 -5.296 -6.266 -5.500 1.00 42.44 C ATOM 0 H MET A 76 -4.697 -10.332 -2.564 1.00 1.42 H new ATOM 0 HA MET A 76 -6.325 -10.854 -4.757 1.00 4.45 H new ATOM 0 HB2 MET A 76 -6.544 -9.103 -2.933 1.00 75.00 H new ATOM 0 HB3 MET A 76 -5.285 -8.181 -3.730 1.00 75.00 H new ATOM 0 HG2 MET A 76 -7.890 -8.936 -5.082 1.00 11.34 H new ATOM 0 HG3 MET A 76 -7.676 -7.454 -4.170 1.00 11.34 H new ATOM 0 HE1 MET A 76 -5.021 -5.500 -6.225 1.00 42.44 H new ATOM 0 HE2 MET A 76 -5.743 -5.794 -4.625 1.00 42.44 H new ATOM 0 HE3 MET A 76 -4.405 -6.818 -5.199 1.00 42.44 H new ATOM 1212 N VAL A 77 -3.531 -9.284 -5.552 1.00 40.43 N ATOM 1213 CA VAL A 77 -2.672 -8.929 -6.675 1.00 54.25 C ATOM 1214 C VAL A 77 -2.231 -10.172 -7.441 1.00 33.12 C ATOM 1215 O VAL A 77 -2.124 -10.146 -8.665 1.00 1.34 O ATOM 1216 CB VAL A 77 -1.427 -8.135 -6.223 1.00 53.41 C ATOM 1217 CG1 VAL A 77 -0.560 -7.765 -7.419 1.00 3.54 C ATOM 1218 CG2 VAL A 77 -1.842 -6.885 -5.466 1.00 43.15 C ATOM 0 H VAL A 77 -3.159 -9.027 -4.637 1.00 40.43 H new ATOM 0 HA VAL A 77 -3.264 -8.292 -7.332 1.00 54.25 H new ATOM 0 HB VAL A 77 -0.841 -8.769 -5.557 1.00 53.41 H new ATOM 0 HG11 VAL A 77 0.311 -7.206 -7.078 1.00 3.54 H new ATOM 0 HG12 VAL A 77 -0.233 -8.673 -7.926 1.00 3.54 H new ATOM 0 HG13 VAL A 77 -1.137 -7.151 -8.110 1.00 3.54 H new ATOM 0 HG21 VAL A 77 -0.953 -6.336 -5.154 1.00 43.15 H new ATOM 0 HG22 VAL A 77 -2.450 -6.253 -6.113 1.00 43.15 H new ATOM 0 HG23 VAL A 77 -2.421 -7.168 -4.587 1.00 43.15 H new ATOM 1228 N MET A 78 -2.000 -11.266 -6.724 1.00 44.33 N ATOM 1229 CA MET A 78 -1.595 -12.516 -7.361 1.00 31.33 C ATOM 1230 C MET A 78 -2.693 -13.031 -8.279 1.00 3.42 C ATOM 1231 O MET A 78 -2.412 -13.550 -9.359 1.00 73.21 O ATOM 1232 CB MET A 78 -1.241 -13.580 -6.327 1.00 4.23 C ATOM 1233 CG MET A 78 0.013 -13.252 -5.541 1.00 23.22 C ATOM 1234 SD MET A 78 0.561 -14.616 -4.501 1.00 14.41 S ATOM 1235 CE MET A 78 1.983 -13.860 -3.731 1.00 31.41 C ATOM 0 H MET A 78 -2.085 -11.314 -5.709 1.00 44.33 H new ATOM 0 HA MET A 78 -0.704 -12.307 -7.954 1.00 31.33 H new ATOM 0 HB2 MET A 78 -2.075 -13.698 -5.636 1.00 4.23 H new ATOM 0 HB3 MET A 78 -1.107 -14.537 -6.831 1.00 4.23 H new ATOM 0 HG2 MET A 78 0.811 -12.986 -6.234 1.00 23.22 H new ATOM 0 HG3 MET A 78 -0.173 -12.377 -4.917 1.00 23.22 H new ATOM 0 HE1 MET A 78 2.615 -14.634 -3.295 1.00 31.41 H new ATOM 0 HE2 MET A 78 2.551 -13.307 -4.479 1.00 31.41 H new ATOM 0 HE3 MET A 78 1.653 -13.177 -2.948 1.00 31.41 H new ATOM 1245 N ASP A 79 -3.942 -12.881 -7.848 1.00 11.33 N ATOM 1246 CA ASP A 79 -5.087 -13.245 -8.685 1.00 64.44 C ATOM 1247 C ASP A 79 -5.090 -12.409 -9.954 1.00 73.22 C ATOM 1248 O ASP A 79 -5.371 -12.910 -11.044 1.00 31.50 O ATOM 1249 CB ASP A 79 -6.416 -13.040 -7.945 1.00 32.44 C ATOM 1250 CG ASP A 79 -6.627 -14.020 -6.810 1.00 51.23 C ATOM 1251 OD1 ASP A 79 -6.849 -15.218 -7.083 1.00 43.11 O ATOM 1252 OD2 ASP A 79 -6.583 -13.597 -5.638 1.00 53.30 O ATOM 0 H ASP A 79 -4.189 -12.512 -6.930 1.00 11.33 H new ATOM 0 HA ASP A 79 -4.990 -14.302 -8.933 1.00 64.44 H new ATOM 0 HB2 ASP A 79 -6.451 -12.025 -7.550 1.00 32.44 H new ATOM 0 HB3 ASP A 79 -7.238 -13.135 -8.655 1.00 32.44 H new ATOM 1257 N ILE A 80 -4.764 -11.132 -9.800 1.00 70.13 N ATOM 1258 CA ILE A 80 -4.713 -10.206 -10.922 1.00 53.42 C ATOM 1259 C ILE A 80 -3.536 -10.529 -11.840 1.00 21.25 C ATOM 1260 O ILE A 80 -3.661 -10.486 -13.062 1.00 32.11 O ATOM 1261 CB ILE A 80 -4.588 -8.743 -10.444 1.00 71.44 C ATOM 1262 CG1 ILE A 80 -5.682 -8.405 -9.428 1.00 22.12 C ATOM 1263 CG2 ILE A 80 -4.660 -7.795 -11.626 1.00 62.34 C ATOM 1264 CD1 ILE A 80 -7.090 -8.533 -9.968 1.00 75.52 C ATOM 0 H ILE A 80 -4.529 -10.712 -8.901 1.00 70.13 H new ATOM 0 HA ILE A 80 -5.648 -10.320 -11.471 1.00 53.42 H new ATOM 0 HB ILE A 80 -3.620 -8.626 -9.956 1.00 71.44 H new ATOM 0 HG12 ILE A 80 -5.575 -9.061 -8.564 1.00 22.12 H new ATOM 0 HG13 ILE A 80 -5.532 -7.385 -9.075 1.00 22.12 H new ATOM 0 HG21 ILE A 80 -4.571 -6.767 -11.274 1.00 62.34 H new ATOM 0 HG22 ILE A 80 -3.847 -8.014 -12.318 1.00 62.34 H new ATOM 0 HG23 ILE A 80 -5.615 -7.922 -12.137 1.00 62.34 H new ATOM 0 HD11 ILE A 80 -7.804 -8.276 -9.186 1.00 75.52 H new ATOM 0 HD12 ILE A 80 -7.218 -7.857 -10.813 1.00 75.52 H new ATOM 0 HD13 ILE A 80 -7.263 -9.559 -10.294 1.00 75.52 H new ATOM 1276 N LEU A 81 -2.395 -10.851 -11.249 1.00 1.42 N ATOM 1277 CA LEU A 81 -1.214 -11.213 -12.022 1.00 64.44 C ATOM 1278 C LEU A 81 -1.457 -12.502 -12.796 1.00 44.42 C ATOM 1279 O LEU A 81 -1.086 -12.614 -13.958 1.00 13.23 O ATOM 1280 CB LEU A 81 0.007 -11.359 -11.113 1.00 71.40 C ATOM 1281 CG LEU A 81 0.426 -10.081 -10.383 1.00 73.43 C ATOM 1282 CD1 LEU A 81 1.695 -10.312 -9.579 1.00 34.34 C ATOM 1283 CD2 LEU A 81 0.614 -8.940 -11.372 1.00 65.31 C ATOM 0 H LEU A 81 -2.261 -10.869 -10.238 1.00 1.42 H new ATOM 0 HA LEU A 81 -1.016 -10.412 -12.734 1.00 64.44 H new ATOM 0 HB2 LEU A 81 -0.200 -12.131 -10.372 1.00 71.40 H new ATOM 0 HB3 LEU A 81 0.847 -11.710 -11.712 1.00 71.40 H new ATOM 0 HG LEU A 81 -0.368 -9.806 -9.689 1.00 73.43 H new ATOM 0 HD11 LEU A 81 1.975 -9.391 -9.068 1.00 34.34 H new ATOM 0 HD12 LEU A 81 1.521 -11.097 -8.843 1.00 34.34 H new ATOM 0 HD13 LEU A 81 2.500 -10.614 -10.249 1.00 34.34 H new ATOM 0 HD21 LEU A 81 0.912 -8.039 -10.836 1.00 65.31 H new ATOM 0 HD22 LEU A 81 1.388 -9.206 -12.092 1.00 65.31 H new ATOM 0 HD23 LEU A 81 -0.323 -8.756 -11.898 1.00 65.31 H new ATOM 1295 N ASN A 82 -2.101 -13.464 -12.141 1.00 74.23 N ATOM 1296 CA ASN A 82 -2.503 -14.711 -12.793 1.00 43.31 C ATOM 1297 C ASN A 82 -3.480 -14.411 -13.929 1.00 0.11 C ATOM 1298 O ASN A 82 -3.471 -15.066 -14.973 1.00 43.53 O ATOM 1299 CB ASN A 82 -3.147 -15.650 -11.765 1.00 72.04 C ATOM 1300 CG ASN A 82 -3.735 -16.904 -12.387 1.00 1.42 C ATOM 1301 OD1 ASN A 82 -4.898 -16.922 -12.788 1.00 43.22 O ATOM 1302 ND2 ASN A 82 -2.945 -17.964 -12.455 1.00 73.40 N ATOM 0 H ASN A 82 -2.357 -13.405 -11.155 1.00 74.23 H new ATOM 0 HA ASN A 82 -1.623 -15.200 -13.211 1.00 43.31 H new ATOM 0 HB2 ASN A 82 -2.400 -15.935 -11.025 1.00 72.04 H new ATOM 0 HB3 ASN A 82 -3.933 -15.113 -11.234 1.00 72.04 H new ATOM 0 HD21 ASN A 82 -3.295 -18.836 -12.851 1.00 73.40 H new ATOM 0 HD22 ASN A 82 -1.986 -17.908 -12.111 1.00 73.40 H new ATOM 1309 N PHE A 83 -4.310 -13.403 -13.701 1.00 33.24 N ATOM 1310 CA PHE A 83 -5.266 -12.926 -14.690 1.00 74.41 C ATOM 1311 C PHE A 83 -4.546 -12.373 -15.924 1.00 34.23 C ATOM 1312 O PHE A 83 -4.966 -12.612 -17.058 1.00 71.32 O ATOM 1313 CB PHE A 83 -6.153 -11.856 -14.037 1.00 33.23 C ATOM 1314 CG PHE A 83 -7.121 -11.164 -14.952 1.00 22.25 C ATOM 1315 CD1 PHE A 83 -8.401 -11.659 -15.131 1.00 60.41 C ATOM 1316 CD2 PHE A 83 -6.755 -10.003 -15.612 1.00 43.51 C ATOM 1317 CE1 PHE A 83 -9.299 -11.009 -15.954 1.00 13.10 C ATOM 1318 CE2 PHE A 83 -7.646 -9.350 -16.440 1.00 54.22 C ATOM 1319 CZ PHE A 83 -8.921 -9.854 -16.610 1.00 12.45 C ATOM 0 H PHE A 83 -4.339 -12.890 -12.820 1.00 33.24 H new ATOM 0 HA PHE A 83 -5.889 -13.754 -15.029 1.00 74.41 H new ATOM 0 HB2 PHE A 83 -6.716 -12.322 -13.228 1.00 33.23 H new ATOM 0 HB3 PHE A 83 -5.508 -11.103 -13.584 1.00 33.23 H new ATOM 0 HD1 PHE A 83 -8.700 -12.563 -14.622 1.00 60.41 H new ATOM 0 HD2 PHE A 83 -5.761 -9.604 -15.477 1.00 43.51 H new ATOM 0 HE1 PHE A 83 -10.296 -11.403 -16.085 1.00 13.10 H new ATOM 0 HE2 PHE A 83 -7.347 -8.448 -16.953 1.00 54.22 H new ATOM 0 HZ PHE A 83 -9.622 -9.345 -17.255 1.00 12.45 H new ATOM 1329 N TYR A 84 -3.458 -11.643 -15.701 1.00 13.55 N ATOM 1330 CA TYR A 84 -2.683 -11.071 -16.797 1.00 43.03 C ATOM 1331 C TYR A 84 -1.744 -12.105 -17.415 1.00 3.45 C ATOM 1332 O TYR A 84 -1.991 -12.599 -18.513 1.00 33.10 O ATOM 1333 CB TYR A 84 -1.877 -9.859 -16.325 1.00 34.42 C ATOM 1334 CG TYR A 84 -2.710 -8.628 -16.039 1.00 54.45 C ATOM 1335 CD1 TYR A 84 -3.600 -8.134 -16.983 1.00 60.44 C ATOM 1336 CD2 TYR A 84 -2.587 -7.945 -14.835 1.00 44.52 C ATOM 1337 CE1 TYR A 84 -4.347 -6.997 -16.736 1.00 15.54 C ATOM 1338 CE2 TYR A 84 -3.332 -6.812 -14.580 1.00 21.30 C ATOM 1339 CZ TYR A 84 -4.209 -6.340 -15.532 1.00 72.33 C ATOM 1340 OH TYR A 84 -4.949 -5.205 -15.279 1.00 2.55 O ATOM 0 H TYR A 84 -3.093 -11.433 -14.772 1.00 13.55 H new ATOM 0 HA TYR A 84 -3.393 -10.749 -17.559 1.00 43.03 H new ATOM 0 HB2 TYR A 84 -1.330 -10.131 -15.422 1.00 34.42 H new ATOM 0 HB3 TYR A 84 -1.135 -9.613 -17.085 1.00 34.42 H new ATOM 0 HD1 TYR A 84 -3.711 -8.647 -17.927 1.00 60.44 H new ATOM 0 HD2 TYR A 84 -1.897 -8.307 -14.087 1.00 44.52 H new ATOM 0 HE1 TYR A 84 -5.034 -6.626 -17.482 1.00 15.54 H new ATOM 0 HE2 TYR A 84 -3.228 -6.297 -13.637 1.00 21.30 H new ATOM 0 HH TYR A 84 -4.733 -4.866 -14.385 1.00 2.55 H new