USER MOD reduce.3.24.130724 H: found=0, std=0, add=901, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 894 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 57 LYS NZ :NH3+ -129:sc= -1.1 (180deg=-3.15!) USER MOD Set 1.2: A 68 TYR OH : rot -140:sc= -0.272 USER MOD Set 2.1: A 37 SER OG : rot 53:sc= 0.862 USER MOD Set 2.2: A 40 GLN : amide:sc= -0.304 K(o=0.56,f=-0.77) USER MOD Set 3.1: A 34 ASN :FLIP amide:sc= 0.00137 F(o=-1.9,f=-0.21) USER MOD Set 3.2: A 38 LYS NZ :NH3+ 153:sc= -0.209 (180deg=-0.675) USER MOD Set 4.1: A 16 THR OG1 : rot 117:sc= 0.909 USER MOD Set 4.2: A 18 THR OG1 : rot 180:sc= 0.469 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -174:sc= -0.199 (180deg=-0.273) USER MOD Single : A 2 HIS : no HD1:sc= 0.314 K(o=0.31,f=-1.7!) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 5 HIS : no HE2:sc= 0.268 K(o=0.27,f=-1.4) USER MOD Single : A 6 HIS : no HD1:sc= -0.25 K(o=-0.25,f=-1) USER MOD Single : A 7 HIS : no HD1:sc= -0.0128 X(o=-0.013,f=-0.25) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 15 LYS NZ :NH3+ 162:sc=-0.00629 (180deg=-0.136) USER MOD Single : A 20 LYS NZ :NH3+ -167:sc= 0.73 (180deg=0.506) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.0499 USER MOD Single : A 23 THR OG1 : rot -91:sc= 1.59 USER MOD Single : A 28 SER OG : rot 45:sc= 0.296 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -169:sc= -0.213 (180deg=-0.606) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -2.44! C(o=-2.4!,f=-2.1!) USER MOD Single : A 50 GLN :FLIP amide:sc= -6.12! C(o=-7.5!,f=-6.1!) USER MOD Single : A 58 GLN : amide:sc= -0.102 X(o=-0.1,f=0.13) USER MOD Single : A 64 THR OG1 : rot 180:sc=-0.00172 USER MOD Single : A 66 SER OG : rot -28:sc= 0.131 USER MOD Single : A 69 ASN : amide:sc= -0.544 X(o=-0.54,f=-0.54) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 SER OG : rot 140:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 HIS :FLIP no HD1:sc= -0.225 F(o=-1.1,f=-0.22) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 156:sc= -12.6! (180deg=-14.9!) USER MOD Single : A 104 SER OG : rot 180:sc= -1.18 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot -67:sc= 1.03 USER MOD Single : A 110 ASN : amide:sc= 0.112 X(o=0.11,f=-0.22) USER MOD Single : A 111 SER OG : rot 67:sc= 1.28 USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 122.225 5.395 18.905 1.00 0.00 N ATOM 2 CA MET A 1 121.348 6.588 19.078 1.00 0.00 C ATOM 3 C MET A 1 121.021 7.184 17.712 1.00 0.00 C ATOM 4 O MET A 1 120.134 8.030 17.590 1.00 0.00 O ATOM 5 CB MET A 1 122.071 7.625 19.945 1.00 0.00 C ATOM 6 CG MET A 1 121.070 8.673 20.441 1.00 0.00 C ATOM 7 SD MET A 1 121.717 9.465 21.935 1.00 0.00 S ATOM 8 CE MET A 1 120.866 8.416 23.141 1.00 0.00 C ATOM 0 H1 MET A 1 122.364 4.930 19.825 1.00 0.00 H new ATOM 0 H2 MET A 1 121.778 4.728 18.244 1.00 0.00 H new ATOM 0 H3 MET A 1 123.146 5.693 18.525 1.00 0.00 H new ATOM 0 HA MET A 1 120.419 6.295 19.568 1.00 0.00 H new ATOM 0 HB2 MET A 1 122.548 7.134 20.793 1.00 0.00 H new ATOM 0 HB3 MET A 1 122.861 8.107 19.369 1.00 0.00 H new ATOM 0 HG2 MET A 1 120.896 9.420 19.667 1.00 0.00 H new ATOM 0 HG3 MET A 1 120.110 8.203 20.652 1.00 0.00 H new ATOM 0 HE1 MET A 1 121.128 8.735 24.150 1.00 0.00 H new ATOM 0 HE2 MET A 1 119.788 8.502 23.001 1.00 0.00 H new ATOM 0 HE3 MET A 1 121.169 7.379 22.999 1.00 0.00 H new ATOM 20 N HIS A 2 121.743 6.737 16.686 1.00 0.00 N ATOM 21 CA HIS A 2 121.521 7.233 15.330 1.00 0.00 C ATOM 22 C HIS A 2 120.173 6.751 14.805 1.00 0.00 C ATOM 23 O HIS A 2 119.907 5.549 14.765 1.00 0.00 O ATOM 24 CB HIS A 2 122.638 6.750 14.399 1.00 0.00 C ATOM 25 CG HIS A 2 123.939 6.696 15.152 1.00 0.00 C ATOM 26 ND1 HIS A 2 124.367 5.550 15.804 1.00 0.00 N ATOM 27 CD2 HIS A 2 124.913 7.638 15.373 1.00 0.00 C ATOM 28 CE1 HIS A 2 125.551 5.828 16.379 1.00 0.00 C ATOM 29 NE2 HIS A 2 125.930 7.087 16.147 1.00 0.00 N ATOM 0 H HIS A 2 122.481 6.038 16.767 1.00 0.00 H new ATOM 0 HA HIS A 2 121.524 8.323 15.357 1.00 0.00 H new ATOM 0 HB2 HIS A 2 122.394 5.764 14.004 1.00 0.00 H new ATOM 0 HB3 HIS A 2 122.729 7.422 13.545 1.00 0.00 H new ATOM 0 HD2 HIS A 2 124.893 8.652 15.003 1.00 0.00 H new ATOM 0 HE1 HIS A 2 126.125 5.119 16.958 1.00 0.00 H new ATOM 0 HE2 HIS A 2 126.782 7.546 16.468 1.00 0.00 H new ATOM 37 N HIS A 3 119.327 7.695 14.406 1.00 0.00 N ATOM 38 CA HIS A 3 118.006 7.357 13.886 1.00 0.00 C ATOM 39 C HIS A 3 118.127 6.609 12.561 1.00 0.00 C ATOM 40 O HIS A 3 117.608 5.501 12.415 1.00 0.00 O ATOM 41 CB HIS A 3 117.179 8.630 13.688 1.00 0.00 C ATOM 42 CG HIS A 3 115.846 8.277 13.083 1.00 0.00 C ATOM 43 ND1 HIS A 3 115.417 8.812 11.879 1.00 0.00 N ATOM 44 CD2 HIS A 3 114.842 7.440 13.501 1.00 0.00 C ATOM 45 CE1 HIS A 3 114.203 8.296 11.616 1.00 0.00 C ATOM 46 NE2 HIS A 3 113.805 7.453 12.574 1.00 0.00 N ATOM 0 H HIS A 3 119.530 8.694 14.432 1.00 0.00 H new ATOM 0 HA HIS A 3 117.506 6.712 14.608 1.00 0.00 H new ATOM 0 HB2 HIS A 3 117.034 9.134 14.644 1.00 0.00 H new ATOM 0 HB3 HIS A 3 117.712 9.325 13.039 1.00 0.00 H new ATOM 0 HD2 HIS A 3 114.855 6.859 14.412 1.00 0.00 H new ATOM 0 HE1 HIS A 3 113.621 8.534 10.738 1.00 0.00 H new ATOM 0 HE2 HIS A 3 112.929 6.932 12.616 1.00 0.00 H new ATOM 54 N HIS A 4 118.814 7.226 11.600 1.00 0.00 N ATOM 55 CA HIS A 4 119.003 6.619 10.282 1.00 0.00 C ATOM 56 C HIS A 4 117.658 6.363 9.604 1.00 0.00 C ATOM 57 O HIS A 4 116.604 6.704 10.145 1.00 0.00 O ATOM 58 CB HIS A 4 119.779 5.301 10.414 1.00 0.00 C ATOM 59 CG HIS A 4 121.235 5.542 10.122 1.00 0.00 C ATOM 60 ND1 HIS A 4 122.038 6.307 10.954 1.00 0.00 N ATOM 61 CD2 HIS A 4 122.045 5.129 9.094 1.00 0.00 C ATOM 62 CE1 HIS A 4 123.272 6.329 10.417 1.00 0.00 C ATOM 63 NE2 HIS A 4 123.330 5.625 9.282 1.00 0.00 N ATOM 0 H HIS A 4 119.248 8.143 11.708 1.00 0.00 H new ATOM 0 HA HIS A 4 119.575 7.313 9.666 1.00 0.00 H new ATOM 0 HB2 HIS A 4 119.661 4.897 11.419 1.00 0.00 H new ATOM 0 HB3 HIS A 4 119.377 4.560 9.723 1.00 0.00 H new ATOM 0 HD2 HIS A 4 121.732 4.512 8.265 1.00 0.00 H new ATOM 0 HE1 HIS A 4 124.112 6.851 10.850 1.00 0.00 H new ATOM 0 HE2 HIS A 4 124.143 5.482 8.682 1.00 0.00 H new ATOM 71 N HIS A 5 117.703 5.767 8.416 1.00 0.00 N ATOM 72 CA HIS A 5 116.483 5.472 7.670 1.00 0.00 C ATOM 73 C HIS A 5 116.732 4.372 6.643 1.00 0.00 C ATOM 74 O HIS A 5 117.875 3.979 6.401 1.00 0.00 O ATOM 75 CB HIS A 5 115.986 6.734 6.957 1.00 0.00 C ATOM 76 CG HIS A 5 116.971 7.135 5.892 1.00 0.00 C ATOM 77 ND1 HIS A 5 116.830 6.740 4.571 1.00 0.00 N ATOM 78 CD2 HIS A 5 118.115 7.891 5.938 1.00 0.00 C ATOM 79 CE1 HIS A 5 117.865 7.256 3.882 1.00 0.00 C ATOM 80 NE2 HIS A 5 118.679 7.966 4.668 1.00 0.00 N ATOM 0 H HIS A 5 118.565 5.480 7.951 1.00 0.00 H new ATOM 0 HA HIS A 5 115.725 5.130 8.375 1.00 0.00 H new ATOM 0 HB2 HIS A 5 115.008 6.551 6.511 1.00 0.00 H new ATOM 0 HB3 HIS A 5 115.862 7.544 7.675 1.00 0.00 H new ATOM 0 HD1 HIS A 5 116.079 6.164 4.190 1.00 0.00 H new ATOM 0 HD2 HIS A 5 118.517 8.357 6.825 1.00 0.00 H new ATOM 0 HE1 HIS A 5 118.019 7.113 2.823 1.00 0.00 H new ATOM 88 N HIS A 6 115.650 3.883 6.042 1.00 0.00 N ATOM 89 CA HIS A 6 115.746 2.829 5.036 1.00 0.00 C ATOM 90 C HIS A 6 115.305 3.356 3.673 1.00 0.00 C ATOM 91 O HIS A 6 114.935 4.522 3.539 1.00 0.00 O ATOM 92 CB HIS A 6 114.866 1.643 5.443 1.00 0.00 C ATOM 93 CG HIS A 6 115.183 1.247 6.861 1.00 0.00 C ATOM 94 ND1 HIS A 6 114.666 1.929 7.951 1.00 0.00 N ATOM 95 CD2 HIS A 6 115.964 0.245 7.381 1.00 0.00 C ATOM 96 CE1 HIS A 6 115.138 1.336 9.062 1.00 0.00 C ATOM 97 NE2 HIS A 6 115.934 0.303 8.772 1.00 0.00 N ATOM 0 H HIS A 6 114.699 4.199 6.234 1.00 0.00 H new ATOM 0 HA HIS A 6 116.784 2.502 4.967 1.00 0.00 H new ATOM 0 HB2 HIS A 6 113.813 1.911 5.355 1.00 0.00 H new ATOM 0 HB3 HIS A 6 115.038 0.801 4.772 1.00 0.00 H new ATOM 0 HD2 HIS A 6 116.517 -0.478 6.800 1.00 0.00 H new ATOM 0 HE1 HIS A 6 114.902 1.656 10.066 1.00 0.00 H new ATOM 0 HE2 HIS A 6 116.416 -0.311 9.428 1.00 0.00 H new ATOM 105 N HIS A 7 115.352 2.489 2.663 1.00 0.00 N ATOM 106 CA HIS A 7 114.958 2.879 1.313 1.00 0.00 C ATOM 107 C HIS A 7 113.519 2.456 1.028 1.00 0.00 C ATOM 108 O HIS A 7 113.274 1.404 0.435 1.00 0.00 O ATOM 109 CB HIS A 7 115.900 2.240 0.288 1.00 0.00 C ATOM 110 CG HIS A 7 117.130 3.095 0.137 1.00 0.00 C ATOM 111 ND1 HIS A 7 117.819 3.594 1.231 1.00 0.00 N ATOM 112 CD2 HIS A 7 117.804 3.546 -0.969 1.00 0.00 C ATOM 113 CE1 HIS A 7 118.857 4.311 0.763 1.00 0.00 C ATOM 114 NE2 HIS A 7 118.895 4.315 -0.572 1.00 0.00 N ATOM 0 H HIS A 7 115.657 1.520 2.754 1.00 0.00 H new ATOM 0 HA HIS A 7 115.023 3.964 1.235 1.00 0.00 H new ATOM 0 HB2 HIS A 7 116.179 1.237 0.610 1.00 0.00 H new ATOM 0 HB3 HIS A 7 115.395 2.138 -0.672 1.00 0.00 H new ATOM 0 HD2 HIS A 7 117.530 3.337 -1.993 1.00 0.00 H new ATOM 0 HE1 HIS A 7 119.573 4.821 1.391 1.00 0.00 H new ATOM 0 HE2 HIS A 7 119.576 4.781 -1.171 1.00 0.00 H new ATOM 122 N GLY A 8 112.571 3.287 1.455 1.00 0.00 N ATOM 123 CA GLY A 8 111.155 3.001 1.241 1.00 0.00 C ATOM 124 C GLY A 8 110.666 1.883 2.158 1.00 0.00 C ATOM 125 O GLY A 8 111.378 1.451 3.065 1.00 0.00 O ATOM 0 H GLY A 8 112.757 4.160 1.949 1.00 0.00 H new ATOM 0 HA2 GLY A 8 110.569 3.903 1.420 1.00 0.00 H new ATOM 0 HA3 GLY A 8 110.993 2.717 0.201 1.00 0.00 H new ATOM 129 N GLU A 9 109.440 1.425 1.908 1.00 0.00 N ATOM 130 CA GLU A 9 108.844 0.358 2.708 1.00 0.00 C ATOM 131 C GLU A 9 107.921 -0.499 1.836 1.00 0.00 C ATOM 132 O GLU A 9 108.353 -1.030 0.812 1.00 0.00 O ATOM 133 CB GLU A 9 108.062 0.971 3.877 1.00 0.00 C ATOM 134 CG GLU A 9 107.783 -0.098 4.940 1.00 0.00 C ATOM 135 CD GLU A 9 106.339 0.011 5.423 1.00 0.00 C ATOM 136 OE1 GLU A 9 106.101 0.761 6.356 1.00 0.00 O ATOM 137 OE2 GLU A 9 105.490 -0.655 4.853 1.00 0.00 O ATOM 0 H GLU A 9 108.842 1.776 1.160 1.00 0.00 H new ATOM 0 HA GLU A 9 109.633 -0.281 3.105 1.00 0.00 H new ATOM 0 HB2 GLU A 9 108.631 1.791 4.315 1.00 0.00 H new ATOM 0 HB3 GLU A 9 107.123 1.391 3.517 1.00 0.00 H new ATOM 0 HG2 GLU A 9 107.963 -1.090 4.526 1.00 0.00 H new ATOM 0 HG3 GLU A 9 108.467 0.025 5.780 1.00 0.00 H new ATOM 144 N PHE A 10 106.657 -0.631 2.242 1.00 0.00 N ATOM 145 CA PHE A 10 105.694 -1.425 1.483 1.00 0.00 C ATOM 146 C PHE A 10 104.477 -0.580 1.131 1.00 0.00 C ATOM 147 O PHE A 10 103.819 -0.026 2.011 1.00 0.00 O ATOM 148 CB PHE A 10 105.251 -2.647 2.298 1.00 0.00 C ATOM 149 CG PHE A 10 106.448 -3.276 2.976 1.00 0.00 C ATOM 150 CD1 PHE A 10 107.557 -3.671 2.217 1.00 0.00 C ATOM 151 CD2 PHE A 10 106.448 -3.461 4.365 1.00 0.00 C ATOM 152 CE1 PHE A 10 108.664 -4.251 2.847 1.00 0.00 C ATOM 153 CE2 PHE A 10 107.555 -4.040 4.993 1.00 0.00 C ATOM 154 CZ PHE A 10 108.663 -4.435 4.235 1.00 0.00 C ATOM 0 H PHE A 10 106.280 -0.201 3.086 1.00 0.00 H new ATOM 0 HA PHE A 10 106.174 -1.763 0.565 1.00 0.00 H new ATOM 0 HB2 PHE A 10 104.514 -2.350 3.044 1.00 0.00 H new ATOM 0 HB3 PHE A 10 104.768 -3.374 1.646 1.00 0.00 H new ATOM 0 HD1 PHE A 10 107.558 -3.528 1.146 1.00 0.00 H new ATOM 0 HD2 PHE A 10 105.593 -3.156 4.950 1.00 0.00 H new ATOM 0 HE1 PHE A 10 109.519 -4.557 2.262 1.00 0.00 H new ATOM 0 HE2 PHE A 10 107.555 -4.182 6.064 1.00 0.00 H new ATOM 0 HZ PHE A 10 109.518 -4.882 4.721 1.00 0.00 H new ATOM 164 N GLN A 11 104.189 -0.486 -0.162 1.00 0.00 N ATOM 165 CA GLN A 11 103.051 0.295 -0.632 1.00 0.00 C ATOM 166 C GLN A 11 102.109 -0.578 -1.453 1.00 0.00 C ATOM 167 O GLN A 11 102.504 -1.158 -2.466 1.00 0.00 O ATOM 168 CB GLN A 11 103.541 1.483 -1.468 1.00 0.00 C ATOM 169 CG GLN A 11 104.533 1.006 -2.537 1.00 0.00 C ATOM 170 CD GLN A 11 105.068 2.201 -3.324 1.00 0.00 C ATOM 171 OE1 GLN A 11 105.469 3.205 -2.736 1.00 0.00 O ATOM 172 NE2 GLN A 11 105.100 2.150 -4.628 1.00 0.00 N ATOM 0 H GLN A 11 104.726 -0.939 -0.901 1.00 0.00 H new ATOM 0 HA GLN A 11 102.504 0.673 0.232 1.00 0.00 H new ATOM 0 HB2 GLN A 11 102.693 1.977 -1.943 1.00 0.00 H new ATOM 0 HB3 GLN A 11 104.018 2.220 -0.822 1.00 0.00 H new ATOM 0 HG2 GLN A 11 105.358 0.471 -2.066 1.00 0.00 H new ATOM 0 HG3 GLN A 11 104.043 0.305 -3.213 1.00 0.00 H new ATOM 0 HE21 GLN A 11 104.767 1.317 -5.114 1.00 0.00 H new ATOM 0 HE22 GLN A 11 105.458 2.943 -5.161 1.00 0.00 H new ATOM 181 N ILE A 12 100.862 -0.677 -0.999 1.00 0.00 N ATOM 182 CA ILE A 12 99.871 -1.494 -1.693 1.00 0.00 C ATOM 183 C ILE A 12 99.242 -0.716 -2.843 1.00 0.00 C ATOM 184 O ILE A 12 99.686 0.383 -3.178 1.00 0.00 O ATOM 185 CB ILE A 12 98.780 -1.953 -0.717 1.00 0.00 C ATOM 186 CG1 ILE A 12 97.937 -0.746 -0.281 1.00 0.00 C ATOM 187 CG2 ILE A 12 99.429 -2.600 0.511 1.00 0.00 C ATOM 188 CD1 ILE A 12 96.737 -1.221 0.541 1.00 0.00 C ATOM 0 H ILE A 12 100.516 -0.207 -0.162 1.00 0.00 H new ATOM 0 HA ILE A 12 100.377 -2.370 -2.099 1.00 0.00 H new ATOM 0 HB ILE A 12 98.137 -2.681 -1.210 1.00 0.00 H new ATOM 0 HG12 ILE A 12 98.545 -0.060 0.309 1.00 0.00 H new ATOM 0 HG13 ILE A 12 97.594 -0.195 -1.157 1.00 0.00 H new ATOM 0 HG21 ILE A 12 98.653 -2.926 1.204 1.00 0.00 H new ATOM 0 HG22 ILE A 12 100.021 -3.460 0.199 1.00 0.00 H new ATOM 0 HG23 ILE A 12 100.075 -1.875 1.005 1.00 0.00 H new ATOM 0 HD11 ILE A 12 96.142 -0.360 0.848 1.00 0.00 H new ATOM 0 HD12 ILE A 12 96.123 -1.889 -0.063 1.00 0.00 H new ATOM 0 HD13 ILE A 12 97.089 -1.752 1.425 1.00 0.00 H new ATOM 200 N PHE A 13 98.200 -1.291 -3.434 1.00 0.00 N ATOM 201 CA PHE A 13 97.506 -0.647 -4.540 1.00 0.00 C ATOM 202 C PHE A 13 96.023 -0.506 -4.223 1.00 0.00 C ATOM 203 O PHE A 13 95.387 -1.452 -3.763 1.00 0.00 O ATOM 204 CB PHE A 13 97.690 -1.464 -5.824 1.00 0.00 C ATOM 205 CG PHE A 13 98.710 -0.787 -6.711 1.00 0.00 C ATOM 206 CD1 PHE A 13 98.327 0.290 -7.521 1.00 0.00 C ATOM 207 CD2 PHE A 13 100.037 -1.236 -6.726 1.00 0.00 C ATOM 208 CE1 PHE A 13 99.270 0.917 -8.344 1.00 0.00 C ATOM 209 CE2 PHE A 13 100.979 -0.608 -7.548 1.00 0.00 C ATOM 210 CZ PHE A 13 100.596 0.467 -8.358 1.00 0.00 C ATOM 0 H PHE A 13 97.820 -2.199 -3.166 1.00 0.00 H new ATOM 0 HA PHE A 13 97.930 0.346 -4.687 1.00 0.00 H new ATOM 0 HB2 PHE A 13 98.018 -2.475 -5.581 1.00 0.00 H new ATOM 0 HB3 PHE A 13 96.739 -1.555 -6.349 1.00 0.00 H new ATOM 0 HD1 PHE A 13 97.304 0.637 -7.510 1.00 0.00 H new ATOM 0 HD2 PHE A 13 100.333 -2.067 -6.103 1.00 0.00 H new ATOM 0 HE1 PHE A 13 98.975 1.748 -8.968 1.00 0.00 H new ATOM 0 HE2 PHE A 13 102.002 -0.953 -7.557 1.00 0.00 H new ATOM 0 HZ PHE A 13 101.323 0.950 -8.994 1.00 0.00 H new ATOM 220 N ALA A 14 95.485 0.682 -4.475 1.00 0.00 N ATOM 221 CA ALA A 14 94.074 0.951 -4.219 1.00 0.00 C ATOM 222 C ALA A 14 93.387 1.406 -5.500 1.00 0.00 C ATOM 223 O ALA A 14 93.962 2.159 -6.287 1.00 0.00 O ATOM 224 CB ALA A 14 93.935 2.037 -3.149 1.00 0.00 C ATOM 0 H ALA A 14 96.003 1.474 -4.856 1.00 0.00 H new ATOM 0 HA ALA A 14 93.601 0.035 -3.866 1.00 0.00 H new ATOM 0 HB1 ALA A 14 92.879 2.232 -2.964 1.00 0.00 H new ATOM 0 HB2 ALA A 14 94.409 1.702 -2.227 1.00 0.00 H new ATOM 0 HB3 ALA A 14 94.418 2.951 -3.494 1.00 0.00 H new ATOM 230 N LYS A 15 92.154 0.948 -5.704 1.00 0.00 N ATOM 231 CA LYS A 15 91.403 1.321 -6.897 1.00 0.00 C ATOM 232 C LYS A 15 90.027 1.861 -6.526 1.00 0.00 C ATOM 233 O LYS A 15 89.205 1.152 -5.945 1.00 0.00 O ATOM 234 CB LYS A 15 91.248 0.118 -7.830 1.00 0.00 C ATOM 235 CG LYS A 15 90.781 0.604 -9.210 1.00 0.00 C ATOM 236 CD LYS A 15 91.767 0.138 -10.289 1.00 0.00 C ATOM 237 CE LYS A 15 91.347 -1.238 -10.813 1.00 0.00 C ATOM 238 NZ LYS A 15 90.184 -1.088 -11.734 1.00 0.00 N ATOM 0 H LYS A 15 91.659 0.325 -5.066 1.00 0.00 H new ATOM 0 HA LYS A 15 91.960 2.104 -7.412 1.00 0.00 H new ATOM 0 HB2 LYS A 15 92.196 -0.412 -7.920 1.00 0.00 H new ATOM 0 HB3 LYS A 15 90.527 -0.587 -7.417 1.00 0.00 H new ATOM 0 HG2 LYS A 15 89.785 0.217 -9.424 1.00 0.00 H new ATOM 0 HG3 LYS A 15 90.708 1.692 -9.217 1.00 0.00 H new ATOM 0 HD2 LYS A 15 91.792 0.857 -11.108 1.00 0.00 H new ATOM 0 HD3 LYS A 15 92.775 0.089 -9.877 1.00 0.00 H new ATOM 0 HE2 LYS A 15 92.179 -1.709 -11.336 1.00 0.00 H new ATOM 0 HE3 LYS A 15 91.083 -1.890 -9.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 90.090 -1.944 -12.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 89.316 -0.951 -11.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 90.334 -0.264 -12.351 1.00 0.00 H new ATOM 252 N THR A 16 89.786 3.123 -6.873 1.00 0.00 N ATOM 253 CA THR A 16 88.506 3.760 -6.581 1.00 0.00 C ATOM 254 C THR A 16 87.384 3.102 -7.379 1.00 0.00 C ATOM 255 O THR A 16 87.636 2.298 -8.276 1.00 0.00 O ATOM 256 CB THR A 16 88.573 5.249 -6.933 1.00 0.00 C ATOM 257 OG1 THR A 16 88.775 5.394 -8.332 1.00 0.00 O ATOM 258 CG2 THR A 16 89.727 5.909 -6.175 1.00 0.00 C ATOM 0 H THR A 16 90.457 3.722 -7.354 1.00 0.00 H new ATOM 0 HA THR A 16 88.299 3.643 -5.517 1.00 0.00 H new ATOM 0 HB THR A 16 87.638 5.731 -6.648 1.00 0.00 H new ATOM 0 HG1 THR A 16 88.002 5.847 -8.729 1.00 0.00 H new ATOM 0 HG21 THR A 16 89.770 6.968 -6.429 1.00 0.00 H new ATOM 0 HG22 THR A 16 89.568 5.799 -5.102 1.00 0.00 H new ATOM 0 HG23 THR A 16 90.666 5.430 -6.453 1.00 0.00 H new ATOM 266 N LEU A 17 86.144 3.460 -7.050 1.00 0.00 N ATOM 267 CA LEU A 17 84.985 2.910 -7.746 1.00 0.00 C ATOM 268 C LEU A 17 85.087 3.206 -9.241 1.00 0.00 C ATOM 269 O LEU A 17 84.872 2.326 -10.076 1.00 0.00 O ATOM 270 CB LEU A 17 83.699 3.533 -7.175 1.00 0.00 C ATOM 271 CG LEU A 17 82.450 2.803 -7.693 1.00 0.00 C ATOM 272 CD1 LEU A 17 82.226 3.122 -9.175 1.00 0.00 C ATOM 273 CD2 LEU A 17 82.613 1.288 -7.506 1.00 0.00 C ATOM 0 H LEU A 17 85.918 4.125 -6.310 1.00 0.00 H new ATOM 0 HA LEU A 17 84.957 1.830 -7.601 1.00 0.00 H new ATOM 0 HB2 LEU A 17 83.723 3.490 -6.086 1.00 0.00 H new ATOM 0 HB3 LEU A 17 83.648 4.586 -7.451 1.00 0.00 H new ATOM 0 HG LEU A 17 81.585 3.143 -7.124 1.00 0.00 H new ATOM 0 HD11 LEU A 17 81.338 2.599 -9.530 1.00 0.00 H new ATOM 0 HD12 LEU A 17 82.088 4.196 -9.299 1.00 0.00 H new ATOM 0 HD13 LEU A 17 83.092 2.799 -9.752 1.00 0.00 H new ATOM 0 HD21 LEU A 17 81.723 0.778 -7.876 1.00 0.00 H new ATOM 0 HD22 LEU A 17 83.485 0.945 -8.062 1.00 0.00 H new ATOM 0 HD23 LEU A 17 82.746 1.064 -6.448 1.00 0.00 H new ATOM 285 N THR A 18 85.420 4.454 -9.563 1.00 0.00 N ATOM 286 CA THR A 18 85.553 4.877 -10.955 1.00 0.00 C ATOM 287 C THR A 18 86.661 4.095 -11.660 1.00 0.00 C ATOM 288 O THR A 18 86.681 4.004 -12.888 1.00 0.00 O ATOM 289 CB THR A 18 85.859 6.375 -11.014 1.00 0.00 C ATOM 290 OG1 THR A 18 87.072 6.637 -10.319 1.00 0.00 O ATOM 291 CG2 THR A 18 84.715 7.161 -10.364 1.00 0.00 C ATOM 0 H THR A 18 85.602 5.189 -8.880 1.00 0.00 H new ATOM 0 HA THR A 18 84.612 4.676 -11.466 1.00 0.00 H new ATOM 0 HB THR A 18 85.961 6.683 -12.054 1.00 0.00 H new ATOM 0 HG1 THR A 18 87.270 7.596 -10.357 1.00 0.00 H new ATOM 0 HG21 THR A 18 84.936 8.228 -10.407 1.00 0.00 H new ATOM 0 HG22 THR A 18 83.786 6.961 -10.898 1.00 0.00 H new ATOM 0 HG23 THR A 18 84.608 6.855 -9.323 1.00 0.00 H new ATOM 299 N GLY A 19 87.574 3.528 -10.874 1.00 0.00 N ATOM 300 CA GLY A 19 88.676 2.747 -11.431 1.00 0.00 C ATOM 301 C GLY A 19 89.973 3.552 -11.479 1.00 0.00 C ATOM 302 O GLY A 19 90.713 3.489 -12.461 1.00 0.00 O ATOM 0 H GLY A 19 87.573 3.594 -9.856 1.00 0.00 H new ATOM 0 HA2 GLY A 19 88.827 1.850 -10.830 1.00 0.00 H new ATOM 0 HA3 GLY A 19 88.416 2.417 -12.437 1.00 0.00 H new ATOM 306 N LYS A 20 90.250 4.296 -10.411 1.00 0.00 N ATOM 307 CA LYS A 20 91.471 5.097 -10.338 1.00 0.00 C ATOM 308 C LYS A 20 92.523 4.352 -9.522 1.00 0.00 C ATOM 309 O LYS A 20 92.269 3.966 -8.383 1.00 0.00 O ATOM 310 CB LYS A 20 91.173 6.452 -9.687 1.00 0.00 C ATOM 311 CG LYS A 20 92.052 7.537 -10.319 1.00 0.00 C ATOM 312 CD LYS A 20 92.360 8.618 -9.277 1.00 0.00 C ATOM 313 CE LYS A 20 91.057 9.284 -8.825 1.00 0.00 C ATOM 314 NZ LYS A 20 91.371 10.542 -8.087 1.00 0.00 N ATOM 0 H LYS A 20 89.650 4.362 -9.589 1.00 0.00 H new ATOM 0 HA LYS A 20 91.848 5.266 -11.347 1.00 0.00 H new ATOM 0 HB2 LYS A 20 90.120 6.704 -9.815 1.00 0.00 H new ATOM 0 HB3 LYS A 20 91.360 6.399 -8.614 1.00 0.00 H new ATOM 0 HG2 LYS A 20 92.979 7.099 -10.689 1.00 0.00 H new ATOM 0 HG3 LYS A 20 91.544 7.978 -11.176 1.00 0.00 H new ATOM 0 HD2 LYS A 20 92.870 8.177 -8.421 1.00 0.00 H new ATOM 0 HD3 LYS A 20 93.033 9.364 -9.700 1.00 0.00 H new ATOM 0 HE2 LYS A 20 90.430 9.504 -9.689 1.00 0.00 H new ATOM 0 HE3 LYS A 20 90.492 8.606 -8.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 90.519 10.877 -7.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 92.123 10.359 -7.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 91.690 11.268 -8.759 1.00 0.00 H new ATOM 328 N THR A 21 93.701 4.151 -10.110 1.00 0.00 N ATOM 329 CA THR A 21 94.778 3.440 -9.423 1.00 0.00 C ATOM 330 C THR A 21 95.584 4.391 -8.544 1.00 0.00 C ATOM 331 O THR A 21 96.090 5.410 -9.015 1.00 0.00 O ATOM 332 CB THR A 21 95.704 2.774 -10.448 1.00 0.00 C ATOM 333 OG1 THR A 21 95.065 2.744 -11.718 1.00 0.00 O ATOM 334 CG2 THR A 21 96.020 1.343 -10.004 1.00 0.00 C ATOM 0 H THR A 21 93.933 4.467 -11.052 1.00 0.00 H new ATOM 0 HA THR A 21 94.331 2.676 -8.787 1.00 0.00 H new ATOM 0 HB THR A 21 96.630 3.344 -10.519 1.00 0.00 H new ATOM 0 HG1 THR A 21 95.658 2.320 -12.373 1.00 0.00 H new ATOM 0 HG21 THR A 21 96.678 0.872 -10.734 1.00 0.00 H new ATOM 0 HG22 THR A 21 96.513 1.364 -9.032 1.00 0.00 H new ATOM 0 HG23 THR A 21 95.094 0.772 -9.929 1.00 0.00 H new ATOM 342 N ILE A 22 95.695 4.046 -7.262 1.00 0.00 N ATOM 343 CA ILE A 22 96.438 4.867 -6.308 1.00 0.00 C ATOM 344 C ILE A 22 97.367 3.992 -5.467 1.00 0.00 C ATOM 345 O ILE A 22 96.937 2.984 -4.904 1.00 0.00 O ATOM 346 CB ILE A 22 95.469 5.619 -5.384 1.00 0.00 C ATOM 347 CG1 ILE A 22 94.160 5.920 -6.128 1.00 0.00 C ATOM 348 CG2 ILE A 22 96.113 6.934 -4.935 1.00 0.00 C ATOM 349 CD1 ILE A 22 93.075 6.306 -5.120 1.00 0.00 C ATOM 0 H ILE A 22 95.280 3.205 -6.861 1.00 0.00 H new ATOM 0 HA ILE A 22 97.033 5.589 -6.867 1.00 0.00 H new ATOM 0 HB ILE A 22 95.251 4.999 -4.514 1.00 0.00 H new ATOM 0 HG12 ILE A 22 94.313 6.730 -6.841 1.00 0.00 H new ATOM 0 HG13 ILE A 22 93.846 5.047 -6.700 1.00 0.00 H new ATOM 0 HG21 ILE A 22 95.427 7.470 -4.279 1.00 0.00 H new ATOM 0 HG22 ILE A 22 97.037 6.722 -4.398 1.00 0.00 H new ATOM 0 HG23 ILE A 22 96.334 7.548 -5.808 1.00 0.00 H new ATOM 0 HD11 ILE A 22 92.146 6.519 -5.649 1.00 0.00 H new ATOM 0 HD12 ILE A 22 92.915 5.482 -4.424 1.00 0.00 H new ATOM 0 HD13 ILE A 22 93.390 7.192 -4.568 1.00 0.00 H new ATOM 361 N THR A 23 98.638 4.383 -5.388 1.00 0.00 N ATOM 362 CA THR A 23 99.620 3.627 -4.613 1.00 0.00 C ATOM 363 C THR A 23 99.985 4.377 -3.333 1.00 0.00 C ATOM 364 O THR A 23 100.384 5.542 -3.380 1.00 0.00 O ATOM 365 CB THR A 23 100.883 3.392 -5.450 1.00 0.00 C ATOM 366 OG1 THR A 23 100.517 3.183 -6.806 1.00 0.00 O ATOM 367 CG2 THR A 23 101.629 2.163 -4.927 1.00 0.00 C ATOM 0 H THR A 23 99.010 5.214 -5.848 1.00 0.00 H new ATOM 0 HA THR A 23 99.181 2.666 -4.345 1.00 0.00 H new ATOM 0 HB THR A 23 101.533 4.264 -5.376 1.00 0.00 H new ATOM 0 HG1 THR A 23 100.389 2.225 -6.966 1.00 0.00 H new ATOM 0 HG21 THR A 23 102.526 2.000 -5.525 1.00 0.00 H new ATOM 0 HG22 THR A 23 101.911 2.324 -3.886 1.00 0.00 H new ATOM 0 HG23 THR A 23 100.983 1.288 -4.997 1.00 0.00 H new ATOM 375 N LEU A 24 99.846 3.699 -2.194 1.00 0.00 N ATOM 376 CA LEU A 24 100.166 4.308 -0.902 1.00 0.00 C ATOM 377 C LEU A 24 101.026 3.374 -0.052 1.00 0.00 C ATOM 378 O LEU A 24 100.834 2.155 -0.053 1.00 0.00 O ATOM 379 CB LEU A 24 98.890 4.687 -0.122 1.00 0.00 C ATOM 380 CG LEU A 24 97.681 3.819 -0.518 1.00 0.00 C ATOM 381 CD1 LEU A 24 97.261 4.110 -1.964 1.00 0.00 C ATOM 382 CD2 LEU A 24 98.014 2.331 -0.363 1.00 0.00 C ATOM 0 H LEU A 24 99.517 2.735 -2.139 1.00 0.00 H new ATOM 0 HA LEU A 24 100.728 5.218 -1.111 1.00 0.00 H new ATOM 0 HB2 LEU A 24 99.076 4.581 0.947 1.00 0.00 H new ATOM 0 HB3 LEU A 24 98.655 5.736 -0.302 1.00 0.00 H new ATOM 0 HG LEU A 24 96.853 4.066 0.146 1.00 0.00 H new ATOM 0 HD11 LEU A 24 96.405 3.488 -2.227 1.00 0.00 H new ATOM 0 HD12 LEU A 24 96.988 5.161 -2.059 1.00 0.00 H new ATOM 0 HD13 LEU A 24 98.091 3.888 -2.635 1.00 0.00 H new ATOM 0 HD21 LEU A 24 97.148 1.733 -0.647 1.00 0.00 H new ATOM 0 HD22 LEU A 24 98.857 2.078 -1.006 1.00 0.00 H new ATOM 0 HD23 LEU A 24 98.274 2.123 0.675 1.00 0.00 H new ATOM 394 N GLU A 25 101.980 3.965 0.670 1.00 0.00 N ATOM 395 CA GLU A 25 102.879 3.200 1.529 1.00 0.00 C ATOM 396 C GLU A 25 102.181 2.821 2.834 1.00 0.00 C ATOM 397 O GLU A 25 101.970 3.667 3.703 1.00 0.00 O ATOM 398 CB GLU A 25 104.136 4.023 1.833 1.00 0.00 C ATOM 399 CG GLU A 25 105.274 3.094 2.268 1.00 0.00 C ATOM 400 CD GLU A 25 105.134 2.744 3.749 1.00 0.00 C ATOM 401 OE1 GLU A 25 104.442 1.787 4.049 1.00 0.00 O ATOM 402 OE2 GLU A 25 105.723 3.439 4.559 1.00 0.00 O ATOM 0 H GLU A 25 102.148 4.971 0.675 1.00 0.00 H new ATOM 0 HA GLU A 25 103.163 2.286 1.007 1.00 0.00 H new ATOM 0 HB2 GLU A 25 104.434 4.588 0.950 1.00 0.00 H new ATOM 0 HB3 GLU A 25 103.926 4.748 2.619 1.00 0.00 H new ATOM 0 HG2 GLU A 25 105.259 2.184 1.669 1.00 0.00 H new ATOM 0 HG3 GLU A 25 106.235 3.577 2.090 1.00 0.00 H new ATOM 409 N VAL A 26 101.825 1.545 2.957 1.00 0.00 N ATOM 410 CA VAL A 26 101.148 1.061 4.158 1.00 0.00 C ATOM 411 C VAL A 26 101.702 -0.289 4.607 1.00 0.00 C ATOM 412 O VAL A 26 102.121 -1.110 3.789 1.00 0.00 O ATOM 413 CB VAL A 26 99.643 0.932 3.898 1.00 0.00 C ATOM 414 CG1 VAL A 26 99.055 2.310 3.584 1.00 0.00 C ATOM 415 CG2 VAL A 26 99.407 -0.008 2.713 1.00 0.00 C ATOM 0 H VAL A 26 101.992 0.832 2.247 1.00 0.00 H new ATOM 0 HA VAL A 26 101.325 1.786 4.952 1.00 0.00 H new ATOM 0 HB VAL A 26 99.157 0.526 4.785 1.00 0.00 H new ATOM 0 HG11 VAL A 26 97.985 2.216 3.400 1.00 0.00 H new ATOM 0 HG12 VAL A 26 99.220 2.977 4.430 1.00 0.00 H new ATOM 0 HG13 VAL A 26 99.541 2.720 2.699 1.00 0.00 H new ATOM 0 HG21 VAL A 26 98.337 -0.099 2.529 1.00 0.00 H new ATOM 0 HG22 VAL A 26 99.895 0.395 1.826 1.00 0.00 H new ATOM 0 HG23 VAL A 26 99.821 -0.990 2.940 1.00 0.00 H new ATOM 425 N GLU A 27 101.681 -0.509 5.919 1.00 0.00 N ATOM 426 CA GLU A 27 102.162 -1.762 6.493 1.00 0.00 C ATOM 427 C GLU A 27 101.203 -2.895 6.142 1.00 0.00 C ATOM 428 O GLU A 27 100.043 -2.650 5.818 1.00 0.00 O ATOM 429 CB GLU A 27 102.279 -1.632 8.015 1.00 0.00 C ATOM 430 CG GLU A 27 103.353 -0.597 8.365 1.00 0.00 C ATOM 431 CD GLU A 27 104.706 -1.283 8.544 1.00 0.00 C ATOM 432 OE1 GLU A 27 105.222 -1.800 7.567 1.00 0.00 O ATOM 433 OE2 GLU A 27 105.206 -1.281 9.657 1.00 0.00 O ATOM 0 H GLU A 27 101.336 0.164 6.604 1.00 0.00 H new ATOM 0 HA GLU A 27 103.146 -1.986 6.080 1.00 0.00 H new ATOM 0 HB2 GLU A 27 101.320 -1.333 8.439 1.00 0.00 H new ATOM 0 HB3 GLU A 27 102.534 -2.597 8.453 1.00 0.00 H new ATOM 0 HG2 GLU A 27 103.418 0.152 7.576 1.00 0.00 H new ATOM 0 HG3 GLU A 27 103.079 -0.072 9.280 1.00 0.00 H new ATOM 440 N SER A 28 101.689 -4.131 6.200 1.00 0.00 N ATOM 441 CA SER A 28 100.855 -5.287 5.875 1.00 0.00 C ATOM 442 C SER A 28 99.735 -5.467 6.898 1.00 0.00 C ATOM 443 O SER A 28 98.773 -6.192 6.649 1.00 0.00 O ATOM 444 CB SER A 28 101.716 -6.550 5.830 1.00 0.00 C ATOM 445 OG SER A 28 100.939 -7.630 5.325 1.00 0.00 O ATOM 0 H SER A 28 102.647 -4.359 6.466 1.00 0.00 H new ATOM 0 HA SER A 28 100.402 -5.114 4.899 1.00 0.00 H new ATOM 0 HB2 SER A 28 102.588 -6.387 5.197 1.00 0.00 H new ATOM 0 HB3 SER A 28 102.086 -6.788 6.827 1.00 0.00 H new ATOM 0 HG SER A 28 100.438 -7.332 4.537 1.00 0.00 H new ATOM 451 N SER A 29 99.886 -4.835 8.056 1.00 0.00 N ATOM 452 CA SER A 29 98.903 -4.948 9.128 1.00 0.00 C ATOM 453 C SER A 29 98.277 -3.592 9.449 1.00 0.00 C ATOM 454 O SER A 29 97.482 -3.478 10.383 1.00 0.00 O ATOM 455 CB SER A 29 99.571 -5.517 10.381 1.00 0.00 C ATOM 456 OG SER A 29 100.430 -4.536 10.947 1.00 0.00 O ATOM 0 H SER A 29 100.682 -4.237 8.277 1.00 0.00 H new ATOM 0 HA SER A 29 98.111 -5.619 8.795 1.00 0.00 H new ATOM 0 HB2 SER A 29 98.814 -5.815 11.106 1.00 0.00 H new ATOM 0 HB3 SER A 29 100.140 -6.412 10.128 1.00 0.00 H new ATOM 0 HG SER A 29 100.857 -4.900 11.751 1.00 0.00 H new ATOM 462 N ASP A 30 98.641 -2.568 8.675 1.00 0.00 N ATOM 463 CA ASP A 30 98.105 -1.223 8.891 1.00 0.00 C ATOM 464 C ASP A 30 96.587 -1.272 9.059 1.00 0.00 C ATOM 465 O ASP A 30 95.939 -2.230 8.643 1.00 0.00 O ATOM 466 CB ASP A 30 98.460 -0.317 7.705 1.00 0.00 C ATOM 467 CG ASP A 30 99.184 0.936 8.194 1.00 0.00 C ATOM 468 OD1 ASP A 30 98.640 1.617 9.049 1.00 0.00 O ATOM 469 OD2 ASP A 30 100.270 1.198 7.703 1.00 0.00 O ATOM 0 H ASP A 30 99.299 -2.643 7.899 1.00 0.00 H new ATOM 0 HA ASP A 30 98.549 -0.819 9.801 1.00 0.00 H new ATOM 0 HB2 ASP A 30 99.091 -0.859 7.001 1.00 0.00 H new ATOM 0 HB3 ASP A 30 97.553 -0.036 7.169 1.00 0.00 H new ATOM 474 N THR A 31 96.026 -0.229 9.663 1.00 0.00 N ATOM 475 CA THR A 31 94.582 -0.170 9.871 1.00 0.00 C ATOM 476 C THR A 31 93.917 0.601 8.737 1.00 0.00 C ATOM 477 O THR A 31 94.566 1.390 8.048 1.00 0.00 O ATOM 478 CB THR A 31 94.262 0.501 11.213 1.00 0.00 C ATOM 479 OG1 THR A 31 94.455 1.905 11.100 1.00 0.00 O ATOM 480 CG2 THR A 31 95.183 -0.056 12.303 1.00 0.00 C ATOM 0 H THR A 31 96.541 0.578 10.014 1.00 0.00 H new ATOM 0 HA THR A 31 94.194 -1.188 9.884 1.00 0.00 H new ATOM 0 HB THR A 31 93.225 0.296 11.479 1.00 0.00 H new ATOM 0 HG1 THR A 31 94.249 2.334 11.957 1.00 0.00 H new ATOM 0 HG21 THR A 31 94.952 0.423 13.254 1.00 0.00 H new ATOM 0 HG22 THR A 31 95.032 -1.132 12.393 1.00 0.00 H new ATOM 0 HG23 THR A 31 96.222 0.143 12.039 1.00 0.00 H new ATOM 488 N ILE A 32 92.620 0.367 8.547 1.00 0.00 N ATOM 489 CA ILE A 32 91.882 1.046 7.487 1.00 0.00 C ATOM 490 C ILE A 32 92.030 2.559 7.620 1.00 0.00 C ATOM 491 O ILE A 32 92.296 3.245 6.637 1.00 0.00 O ATOM 492 CB ILE A 32 90.400 0.653 7.531 1.00 0.00 C ATOM 493 CG1 ILE A 32 90.265 -0.875 7.418 1.00 0.00 C ATOM 494 CG2 ILE A 32 89.656 1.318 6.368 1.00 0.00 C ATOM 495 CD1 ILE A 32 91.077 -1.391 6.225 1.00 0.00 C ATOM 0 H ILE A 32 92.065 -0.280 9.107 1.00 0.00 H new ATOM 0 HA ILE A 32 92.296 0.738 6.527 1.00 0.00 H new ATOM 0 HB ILE A 32 89.969 0.986 8.475 1.00 0.00 H new ATOM 0 HG12 ILE A 32 90.614 -1.347 8.336 1.00 0.00 H new ATOM 0 HG13 ILE A 32 89.216 -1.147 7.298 1.00 0.00 H new ATOM 0 HG21 ILE A 32 88.603 1.037 6.401 1.00 0.00 H new ATOM 0 HG22 ILE A 32 89.745 2.401 6.451 1.00 0.00 H new ATOM 0 HG23 ILE A 32 90.089 0.989 5.423 1.00 0.00 H new ATOM 0 HD11 ILE A 32 90.974 -2.474 6.156 1.00 0.00 H new ATOM 0 HD12 ILE A 32 90.708 -0.932 5.308 1.00 0.00 H new ATOM 0 HD13 ILE A 32 92.128 -1.135 6.362 1.00 0.00 H new ATOM 507 N ASP A 33 91.858 3.077 8.838 1.00 0.00 N ATOM 508 CA ASP A 33 91.984 4.514 9.071 1.00 0.00 C ATOM 509 C ASP A 33 93.220 5.065 8.365 1.00 0.00 C ATOM 510 O ASP A 33 93.152 6.093 7.691 1.00 0.00 O ATOM 511 CB ASP A 33 92.086 4.798 10.572 1.00 0.00 C ATOM 512 CG ASP A 33 90.887 4.198 11.298 1.00 0.00 C ATOM 513 OD1 ASP A 33 89.839 4.825 11.289 1.00 0.00 O ATOM 514 OD2 ASP A 33 91.033 3.121 11.851 1.00 0.00 O ATOM 0 H ASP A 33 91.634 2.529 9.668 1.00 0.00 H new ATOM 0 HA ASP A 33 91.097 5.004 8.669 1.00 0.00 H new ATOM 0 HB2 ASP A 33 93.010 4.377 10.968 1.00 0.00 H new ATOM 0 HB3 ASP A 33 92.126 5.873 10.745 1.00 0.00 H new ATOM 519 N ASN A 34 94.343 4.363 8.515 1.00 0.00 N ATOM 520 CA ASN A 34 95.586 4.782 7.875 1.00 0.00 C ATOM 521 C ASN A 34 95.428 4.739 6.358 1.00 0.00 C ATOM 522 O ASN A 34 95.944 5.597 5.649 1.00 0.00 O ATOM 523 CB ASN A 34 96.735 3.863 8.301 1.00 0.00 C ATOM 524 CG ASN A 34 98.063 4.419 7.796 1.00 0.00 C ATOM 525 OD1 ASN A 34 98.428 4.195 6.563 1.00 0.00 O flip ATOM 526 ND2 ASN A 34 98.788 5.073 8.545 1.00 0.00 N flip ATOM 0 H ASN A 34 94.416 3.510 9.069 1.00 0.00 H new ATOM 0 HA ASN A 34 95.815 5.802 8.184 1.00 0.00 H new ATOM 0 HB2 ASN A 34 96.758 3.775 9.387 1.00 0.00 H new ATOM 0 HB3 ASN A 34 96.576 2.861 7.903 1.00 0.00 H new ATOM 0 HD21 ASN A 34 98.501 5.247 9.508 1.00 0.00 H new ATOM 0 HD22 ASN A 34 99.676 5.441 8.203 1.00 0.00 H new ATOM 533 N VAL A 35 94.692 3.741 5.880 1.00 0.00 N ATOM 534 CA VAL A 35 94.450 3.603 4.446 1.00 0.00 C ATOM 535 C VAL A 35 93.630 4.790 3.946 1.00 0.00 C ATOM 536 O VAL A 35 93.937 5.371 2.904 1.00 0.00 O ATOM 537 CB VAL A 35 93.713 2.292 4.145 1.00 0.00 C ATOM 538 CG1 VAL A 35 93.441 2.186 2.639 1.00 0.00 C ATOM 539 CG2 VAL A 35 94.577 1.105 4.587 1.00 0.00 C ATOM 0 H VAL A 35 94.256 3.022 6.457 1.00 0.00 H new ATOM 0 HA VAL A 35 95.410 3.584 3.930 1.00 0.00 H new ATOM 0 HB VAL A 35 92.768 2.279 4.687 1.00 0.00 H new ATOM 0 HG11 VAL A 35 92.917 1.253 2.429 1.00 0.00 H new ATOM 0 HG12 VAL A 35 92.826 3.028 2.320 1.00 0.00 H new ATOM 0 HG13 VAL A 35 94.386 2.202 2.097 1.00 0.00 H new ATOM 0 HG21 VAL A 35 94.053 0.174 4.373 1.00 0.00 H new ATOM 0 HG22 VAL A 35 95.523 1.122 4.045 1.00 0.00 H new ATOM 0 HG23 VAL A 35 94.771 1.175 5.657 1.00 0.00 H new ATOM 549 N LYS A 36 92.590 5.147 4.700 1.00 0.00 N ATOM 550 CA LYS A 36 91.733 6.269 4.330 1.00 0.00 C ATOM 551 C LYS A 36 92.515 7.580 4.389 1.00 0.00 C ATOM 552 O LYS A 36 92.704 8.242 3.370 1.00 0.00 O ATOM 553 CB LYS A 36 90.523 6.337 5.270 1.00 0.00 C ATOM 554 CG LYS A 36 89.894 4.946 5.407 1.00 0.00 C ATOM 555 CD LYS A 36 88.440 5.079 5.870 1.00 0.00 C ATOM 556 CE LYS A 36 88.402 5.344 7.378 1.00 0.00 C ATOM 557 NZ LYS A 36 88.590 4.062 8.115 1.00 0.00 N ATOM 0 H LYS A 36 92.323 4.677 5.565 1.00 0.00 H new ATOM 0 HA LYS A 36 91.383 6.118 3.309 1.00 0.00 H new ATOM 0 HB2 LYS A 36 90.831 6.705 6.249 1.00 0.00 H new ATOM 0 HB3 LYS A 36 89.788 7.042 4.881 1.00 0.00 H new ATOM 0 HG2 LYS A 36 89.935 4.422 4.452 1.00 0.00 H new ATOM 0 HG3 LYS A 36 90.460 4.349 6.122 1.00 0.00 H new ATOM 0 HD2 LYS A 36 87.951 5.893 5.335 1.00 0.00 H new ATOM 0 HD3 LYS A 36 87.889 4.168 5.637 1.00 0.00 H new ATOM 0 HE2 LYS A 36 89.184 6.052 7.653 1.00 0.00 H new ATOM 0 HE3 LYS A 36 87.450 5.798 7.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 88.380 4.207 9.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 87.948 3.342 7.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 89.574 3.742 8.009 1.00 0.00 H new ATOM 571 N SER A 37 92.963 7.954 5.588 1.00 0.00 N ATOM 572 CA SER A 37 93.721 9.193 5.759 1.00 0.00 C ATOM 573 C SER A 37 94.852 9.270 4.735 1.00 0.00 C ATOM 574 O SER A 37 94.973 10.253 4.002 1.00 0.00 O ATOM 575 CB SER A 37 94.296 9.261 7.177 1.00 0.00 C ATOM 576 OG SER A 37 95.372 10.190 7.208 1.00 0.00 O ATOM 0 H SER A 37 92.816 7.423 6.446 1.00 0.00 H new ATOM 0 HA SER A 37 93.050 10.038 5.603 1.00 0.00 H new ATOM 0 HB2 SER A 37 93.521 9.563 7.881 1.00 0.00 H new ATOM 0 HB3 SER A 37 94.643 8.276 7.488 1.00 0.00 H new ATOM 0 HG SER A 37 95.075 11.047 6.837 1.00 0.00 H new ATOM 582 N LYS A 38 95.674 8.223 4.684 1.00 0.00 N ATOM 583 CA LYS A 38 96.785 8.185 3.738 1.00 0.00 C ATOM 584 C LYS A 38 96.285 8.532 2.337 1.00 0.00 C ATOM 585 O LYS A 38 96.985 9.182 1.564 1.00 0.00 O ATOM 586 CB LYS A 38 97.437 6.800 3.728 1.00 0.00 C ATOM 587 CG LYS A 38 98.633 6.799 2.770 1.00 0.00 C ATOM 588 CD LYS A 38 99.745 5.904 3.330 1.00 0.00 C ATOM 589 CE LYS A 38 100.722 6.746 4.158 1.00 0.00 C ATOM 590 NZ LYS A 38 100.175 6.938 5.531 1.00 0.00 N ATOM 0 H LYS A 38 95.593 7.399 5.280 1.00 0.00 H new ATOM 0 HA LYS A 38 97.530 8.918 4.048 1.00 0.00 H new ATOM 0 HB2 LYS A 38 97.764 6.534 4.733 1.00 0.00 H new ATOM 0 HB3 LYS A 38 96.711 6.048 3.419 1.00 0.00 H new ATOM 0 HG2 LYS A 38 98.324 6.440 1.788 1.00 0.00 H new ATOM 0 HG3 LYS A 38 99.004 7.815 2.636 1.00 0.00 H new ATOM 0 HD2 LYS A 38 99.314 5.117 3.949 1.00 0.00 H new ATOM 0 HD3 LYS A 38 100.275 5.413 2.514 1.00 0.00 H new ATOM 0 HE2 LYS A 38 101.692 6.252 4.208 1.00 0.00 H new ATOM 0 HE3 LYS A 38 100.881 7.713 3.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 100.958 7.081 6.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 99.553 7.771 5.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 99.632 6.096 5.809 1.00 0.00 H new ATOM 604 N ILE A 39 95.061 8.107 2.026 1.00 0.00 N ATOM 605 CA ILE A 39 94.474 8.396 0.722 1.00 0.00 C ATOM 606 C ILE A 39 94.284 9.904 0.562 1.00 0.00 C ATOM 607 O ILE A 39 94.577 10.464 -0.495 1.00 0.00 O ATOM 608 CB ILE A 39 93.131 7.651 0.568 1.00 0.00 C ATOM 609 CG1 ILE A 39 93.223 6.679 -0.616 1.00 0.00 C ATOM 610 CG2 ILE A 39 91.976 8.637 0.330 1.00 0.00 C ATOM 611 CD1 ILE A 39 93.347 7.460 -1.928 1.00 0.00 C ATOM 0 H ILE A 39 94.464 7.567 2.653 1.00 0.00 H new ATOM 0 HA ILE A 39 95.147 8.048 -0.062 1.00 0.00 H new ATOM 0 HB ILE A 39 92.932 7.104 1.489 1.00 0.00 H new ATOM 0 HG12 ILE A 39 94.084 6.022 -0.492 1.00 0.00 H new ATOM 0 HG13 ILE A 39 92.338 6.043 -0.644 1.00 0.00 H new ATOM 0 HG21 ILE A 39 91.042 8.085 0.225 1.00 0.00 H new ATOM 0 HG22 ILE A 39 91.901 9.320 1.176 1.00 0.00 H new ATOM 0 HG23 ILE A 39 92.165 9.206 -0.580 1.00 0.00 H new ATOM 0 HD11 ILE A 39 93.412 6.762 -2.762 1.00 0.00 H new ATOM 0 HD12 ILE A 39 92.472 8.098 -2.056 1.00 0.00 H new ATOM 0 HD13 ILE A 39 94.245 8.077 -1.901 1.00 0.00 H new ATOM 623 N GLN A 40 93.792 10.556 1.617 1.00 0.00 N ATOM 624 CA GLN A 40 93.570 12.000 1.583 1.00 0.00 C ATOM 625 C GLN A 40 94.877 12.735 1.303 1.00 0.00 C ATOM 626 O GLN A 40 94.877 13.830 0.753 1.00 0.00 O ATOM 627 CB GLN A 40 92.958 12.474 2.911 1.00 0.00 C ATOM 628 CG GLN A 40 94.033 13.089 3.818 1.00 0.00 C ATOM 629 CD GLN A 40 93.527 13.161 5.253 1.00 0.00 C ATOM 630 OE1 GLN A 40 93.981 12.407 6.113 1.00 0.00 O ATOM 631 NE2 GLN A 40 92.605 14.030 5.567 1.00 0.00 N ATOM 0 H GLN A 40 93.542 10.109 2.499 1.00 0.00 H new ATOM 0 HA GLN A 40 92.871 12.227 0.778 1.00 0.00 H new ATOM 0 HB2 GLN A 40 92.177 13.209 2.715 1.00 0.00 H new ATOM 0 HB3 GLN A 40 92.485 11.634 3.419 1.00 0.00 H new ATOM 0 HG2 GLN A 40 94.943 12.490 3.774 1.00 0.00 H new ATOM 0 HG3 GLN A 40 94.291 14.087 3.464 1.00 0.00 H new ATOM 0 HE21 GLN A 40 92.229 14.655 4.854 1.00 0.00 H new ATOM 0 HE22 GLN A 40 92.261 14.084 6.526 1.00 0.00 H new ATOM 640 N ASP A 41 95.995 12.121 1.670 1.00 0.00 N ATOM 641 CA ASP A 41 97.293 12.736 1.423 1.00 0.00 C ATOM 642 C ASP A 41 97.607 12.666 -0.070 1.00 0.00 C ATOM 643 O ASP A 41 98.320 13.511 -0.613 1.00 0.00 O ATOM 644 CB ASP A 41 98.379 12.010 2.224 1.00 0.00 C ATOM 645 CG ASP A 41 99.760 12.550 1.858 1.00 0.00 C ATOM 646 OD1 ASP A 41 100.152 13.556 2.426 1.00 0.00 O ATOM 647 OD2 ASP A 41 100.404 11.949 1.013 1.00 0.00 O ATOM 0 H ASP A 41 96.031 11.212 2.132 1.00 0.00 H new ATOM 0 HA ASP A 41 97.267 13.779 1.739 1.00 0.00 H new ATOM 0 HB2 ASP A 41 98.201 12.141 3.291 1.00 0.00 H new ATOM 0 HB3 ASP A 41 98.335 10.940 2.022 1.00 0.00 H new ATOM 652 N LYS A 42 97.073 11.631 -0.715 1.00 0.00 N ATOM 653 CA LYS A 42 97.295 11.415 -2.141 1.00 0.00 C ATOM 654 C LYS A 42 96.240 12.111 -3.005 1.00 0.00 C ATOM 655 O LYS A 42 96.562 12.625 -4.077 1.00 0.00 O ATOM 656 CB LYS A 42 97.280 9.913 -2.451 1.00 0.00 C ATOM 657 CG LYS A 42 98.204 9.165 -1.482 1.00 0.00 C ATOM 658 CD LYS A 42 99.664 9.495 -1.801 1.00 0.00 C ATOM 659 CE LYS A 42 100.581 8.757 -0.824 1.00 0.00 C ATOM 660 NZ LYS A 42 101.925 9.401 -0.820 1.00 0.00 N ATOM 0 H LYS A 42 96.482 10.928 -0.271 1.00 0.00 H new ATOM 0 HA LYS A 42 98.267 11.845 -2.382 1.00 0.00 H new ATOM 0 HB2 LYS A 42 96.264 9.527 -2.368 1.00 0.00 H new ATOM 0 HB3 LYS A 42 97.603 9.743 -3.478 1.00 0.00 H new ATOM 0 HG2 LYS A 42 97.974 9.447 -0.455 1.00 0.00 H new ATOM 0 HG3 LYS A 42 98.038 8.091 -1.563 1.00 0.00 H new ATOM 0 HD2 LYS A 42 99.898 9.205 -2.825 1.00 0.00 H new ATOM 0 HD3 LYS A 42 99.829 10.570 -1.729 1.00 0.00 H new ATOM 0 HE2 LYS A 42 100.153 8.777 0.178 1.00 0.00 H new ATOM 0 HE3 LYS A 42 100.669 7.709 -1.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 102.548 8.899 -0.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 102.333 9.360 -1.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 101.833 10.394 -0.526 1.00 0.00 H new ATOM 674 N GLU A 43 94.979 12.098 -2.564 1.00 0.00 N ATOM 675 CA GLU A 43 93.903 12.708 -3.354 1.00 0.00 C ATOM 676 C GLU A 43 93.145 13.789 -2.579 1.00 0.00 C ATOM 677 O GLU A 43 92.124 14.288 -3.054 1.00 0.00 O ATOM 678 CB GLU A 43 92.912 11.624 -3.789 1.00 0.00 C ATOM 679 CG GLU A 43 93.676 10.408 -4.322 1.00 0.00 C ATOM 680 CD GLU A 43 92.732 9.494 -5.098 1.00 0.00 C ATOM 681 OE1 GLU A 43 91.704 9.128 -4.549 1.00 0.00 O ATOM 682 OE2 GLU A 43 93.052 9.171 -6.229 1.00 0.00 O ATOM 0 H GLU A 43 94.680 11.681 -1.682 1.00 0.00 H new ATOM 0 HA GLU A 43 94.368 13.182 -4.218 1.00 0.00 H new ATOM 0 HB2 GLU A 43 92.286 11.331 -2.946 1.00 0.00 H new ATOM 0 HB3 GLU A 43 92.247 12.014 -4.560 1.00 0.00 H new ATOM 0 HG2 GLU A 43 94.491 10.735 -4.968 1.00 0.00 H new ATOM 0 HG3 GLU A 43 94.126 9.860 -3.494 1.00 0.00 H new ATOM 689 N GLY A 44 93.643 14.159 -1.403 1.00 0.00 N ATOM 690 CA GLY A 44 92.989 15.196 -0.601 1.00 0.00 C ATOM 691 C GLY A 44 91.685 14.691 0.015 1.00 0.00 C ATOM 692 O GLY A 44 91.350 15.039 1.149 1.00 0.00 O ATOM 0 H GLY A 44 94.486 13.764 -0.986 1.00 0.00 H new ATOM 0 HA2 GLY A 44 93.663 15.524 0.190 1.00 0.00 H new ATOM 0 HA3 GLY A 44 92.784 16.065 -1.226 1.00 0.00 H new ATOM 696 N ILE A 45 90.949 13.885 -0.749 1.00 0.00 N ATOM 697 CA ILE A 45 89.670 13.341 -0.297 1.00 0.00 C ATOM 698 C ILE A 45 89.742 12.867 1.158 1.00 0.00 C ATOM 699 O ILE A 45 90.461 11.917 1.473 1.00 0.00 O ATOM 700 CB ILE A 45 89.260 12.177 -1.207 1.00 0.00 C ATOM 701 CG1 ILE A 45 88.727 12.741 -2.530 1.00 0.00 C ATOM 702 CG2 ILE A 45 88.169 11.342 -0.524 1.00 0.00 C ATOM 703 CD1 ILE A 45 88.259 11.598 -3.429 1.00 0.00 C ATOM 0 H ILE A 45 91.219 13.593 -1.688 1.00 0.00 H new ATOM 0 HA ILE A 45 88.924 14.134 -0.351 1.00 0.00 H new ATOM 0 HB ILE A 45 90.124 11.541 -1.399 1.00 0.00 H new ATOM 0 HG12 ILE A 45 87.901 13.426 -2.337 1.00 0.00 H new ATOM 0 HG13 ILE A 45 89.506 13.315 -3.032 1.00 0.00 H new ATOM 0 HG21 ILE A 45 87.882 10.516 -1.175 1.00 0.00 H new ATOM 0 HG22 ILE A 45 88.550 10.946 0.417 1.00 0.00 H new ATOM 0 HG23 ILE A 45 87.299 11.970 -0.328 1.00 0.00 H new ATOM 0 HD11 ILE A 45 87.881 12.004 -4.367 1.00 0.00 H new ATOM 0 HD12 ILE A 45 89.096 10.930 -3.633 1.00 0.00 H new ATOM 0 HD13 ILE A 45 87.466 11.043 -2.929 1.00 0.00 H new ATOM 715 N PRO A 46 89.011 13.509 2.041 1.00 0.00 N ATOM 716 CA PRO A 46 88.986 13.148 3.489 1.00 0.00 C ATOM 717 C PRO A 46 88.744 11.653 3.706 1.00 0.00 C ATOM 718 O PRO A 46 87.982 11.027 2.967 1.00 0.00 O ATOM 719 CB PRO A 46 87.825 13.960 4.081 1.00 0.00 C ATOM 720 CG PRO A 46 87.211 14.745 2.961 1.00 0.00 C ATOM 721 CD PRO A 46 88.138 14.654 1.751 1.00 0.00 C ATOM 0 HA PRO A 46 89.943 13.368 3.961 1.00 0.00 H new ATOM 0 HB2 PRO A 46 87.087 13.299 4.536 1.00 0.00 H new ATOM 0 HB3 PRO A 46 88.183 14.626 4.866 1.00 0.00 H new ATOM 0 HG2 PRO A 46 86.225 14.350 2.715 1.00 0.00 H new ATOM 0 HG3 PRO A 46 87.073 15.785 3.257 1.00 0.00 H new ATOM 0 HD2 PRO A 46 87.575 14.500 0.830 1.00 0.00 H new ATOM 0 HD3 PRO A 46 88.715 15.570 1.623 1.00 0.00 H new ATOM 729 N PRO A 47 89.374 11.080 4.702 1.00 0.00 N ATOM 730 CA PRO A 47 89.219 9.633 5.024 1.00 0.00 C ATOM 731 C PRO A 47 87.751 9.231 5.169 1.00 0.00 C ATOM 732 O PRO A 47 87.383 8.086 4.911 1.00 0.00 O ATOM 733 CB PRO A 47 89.957 9.440 6.358 1.00 0.00 C ATOM 734 CG PRO A 47 90.497 10.774 6.773 1.00 0.00 C ATOM 735 CD PRO A 47 90.301 11.755 5.618 1.00 0.00 C ATOM 0 HA PRO A 47 89.621 9.010 4.225 1.00 0.00 H new ATOM 0 HB2 PRO A 47 89.280 9.048 7.117 1.00 0.00 H new ATOM 0 HB3 PRO A 47 90.765 8.717 6.248 1.00 0.00 H new ATOM 0 HG2 PRO A 47 89.982 11.131 7.665 1.00 0.00 H new ATOM 0 HG3 PRO A 47 91.554 10.693 7.026 1.00 0.00 H new ATOM 0 HD2 PRO A 47 89.890 12.702 5.969 1.00 0.00 H new ATOM 0 HD3 PRO A 47 91.247 11.981 5.127 1.00 0.00 H new ATOM 743 N ASP A 48 86.924 10.180 5.597 1.00 0.00 N ATOM 744 CA ASP A 48 85.499 9.919 5.792 1.00 0.00 C ATOM 745 C ASP A 48 84.755 9.870 4.460 1.00 0.00 C ATOM 746 O ASP A 48 83.936 8.978 4.231 1.00 0.00 O ATOM 747 CB ASP A 48 84.887 11.008 6.679 1.00 0.00 C ATOM 748 CG ASP A 48 85.827 11.331 7.838 1.00 0.00 C ATOM 749 OD1 ASP A 48 86.688 12.177 7.659 1.00 0.00 O ATOM 750 OD2 ASP A 48 85.672 10.727 8.886 1.00 0.00 O ATOM 0 H ASP A 48 87.213 11.134 5.815 1.00 0.00 H new ATOM 0 HA ASP A 48 85.399 8.947 6.276 1.00 0.00 H new ATOM 0 HB2 ASP A 48 84.702 11.906 6.090 1.00 0.00 H new ATOM 0 HB3 ASP A 48 83.923 10.675 7.064 1.00 0.00 H new ATOM 755 N GLN A 49 85.037 10.837 3.587 1.00 0.00 N ATOM 756 CA GLN A 49 84.377 10.897 2.283 1.00 0.00 C ATOM 757 C GLN A 49 84.611 9.613 1.487 1.00 0.00 C ATOM 758 O GLN A 49 83.827 9.274 0.601 1.00 0.00 O ATOM 759 CB GLN A 49 84.896 12.101 1.489 1.00 0.00 C ATOM 760 CG GLN A 49 84.080 12.265 0.200 1.00 0.00 C ATOM 761 CD GLN A 49 84.946 11.959 -1.017 1.00 0.00 C ATOM 762 OE1 GLN A 49 85.112 10.796 -1.386 1.00 0.00 O ATOM 763 NE2 GLN A 49 85.510 12.938 -1.668 1.00 0.00 N ATOM 0 H GLN A 49 85.712 11.583 3.757 1.00 0.00 H new ATOM 0 HA GLN A 49 83.305 11.005 2.450 1.00 0.00 H new ATOM 0 HB2 GLN A 49 84.824 13.005 2.093 1.00 0.00 H new ATOM 0 HB3 GLN A 49 85.950 11.962 1.248 1.00 0.00 H new ATOM 0 HG2 GLN A 49 83.219 11.597 0.219 1.00 0.00 H new ATOM 0 HG3 GLN A 49 83.693 13.282 0.133 1.00 0.00 H new ATOM 0 HE21 GLN A 49 85.372 13.901 -1.361 1.00 0.00 H new ATOM 0 HE22 GLN A 49 86.089 12.741 -2.484 1.00 0.00 H new ATOM 772 N GLN A 50 85.689 8.900 1.809 1.00 0.00 N ATOM 773 CA GLN A 50 86.005 7.655 1.114 1.00 0.00 C ATOM 774 C GLN A 50 85.777 6.453 2.031 1.00 0.00 C ATOM 775 O GLN A 50 85.793 6.581 3.256 1.00 0.00 O ATOM 776 CB GLN A 50 87.459 7.676 0.627 1.00 0.00 C ATOM 777 CG GLN A 50 88.416 7.661 1.825 1.00 0.00 C ATOM 778 CD GLN A 50 88.936 6.246 2.062 1.00 0.00 C ATOM 779 OE1 GLN A 50 90.047 5.867 1.495 1.00 0.00 O flip ATOM 780 NE2 GLN A 50 88.314 5.467 2.782 1.00 0.00 N flip ATOM 0 H GLN A 50 86.352 9.160 2.539 1.00 0.00 H new ATOM 0 HA GLN A 50 85.343 7.564 0.253 1.00 0.00 H new ATOM 0 HB2 GLN A 50 87.649 6.813 -0.011 1.00 0.00 H new ATOM 0 HB3 GLN A 50 87.635 8.565 0.022 1.00 0.00 H new ATOM 0 HG2 GLN A 50 89.251 8.338 1.642 1.00 0.00 H new ATOM 0 HG3 GLN A 50 87.902 8.022 2.716 1.00 0.00 H new ATOM 0 HE21 GLN A 50 87.445 5.765 3.225 1.00 0.00 H new ATOM 0 HE22 GLN A 50 88.667 4.523 2.936 1.00 0.00 H new ATOM 789 N ARG A 51 85.571 5.287 1.422 1.00 0.00 N ATOM 790 CA ARG A 51 85.345 4.054 2.175 1.00 0.00 C ATOM 791 C ARG A 51 86.235 2.942 1.626 1.00 0.00 C ATOM 792 O ARG A 51 86.785 3.069 0.533 1.00 0.00 O ATOM 793 CB ARG A 51 83.874 3.621 2.078 1.00 0.00 C ATOM 794 CG ARG A 51 82.958 4.851 1.992 1.00 0.00 C ATOM 795 CD ARG A 51 82.962 5.602 3.327 1.00 0.00 C ATOM 796 NE ARG A 51 81.687 5.422 4.014 1.00 0.00 N ATOM 797 CZ ARG A 51 81.156 6.397 4.746 1.00 0.00 C ATOM 798 NH1 ARG A 51 81.920 7.138 5.500 1.00 0.00 N ATOM 799 NH2 ARG A 51 79.870 6.614 4.709 1.00 0.00 N ATOM 0 H ARG A 51 85.556 5.170 0.409 1.00 0.00 H new ATOM 0 HA ARG A 51 85.590 4.240 3.221 1.00 0.00 H new ATOM 0 HB2 ARG A 51 83.731 2.991 1.200 1.00 0.00 H new ATOM 0 HB3 ARG A 51 83.607 3.021 2.948 1.00 0.00 H new ATOM 0 HG2 ARG A 51 83.296 5.511 1.193 1.00 0.00 H new ATOM 0 HG3 ARG A 51 81.943 4.542 1.742 1.00 0.00 H new ATOM 0 HD2 ARG A 51 83.775 5.238 3.954 1.00 0.00 H new ATOM 0 HD3 ARG A 51 83.143 6.663 3.155 1.00 0.00 H new ATOM 0 HE ARG A 51 81.194 4.533 3.931 1.00 0.00 H new ATOM 0 HH11 ARG A 51 82.926 6.970 5.528 1.00 0.00 H new ATOM 0 HH12 ARG A 51 81.512 7.886 6.061 1.00 0.00 H new ATOM 0 HH21 ARG A 51 79.272 6.036 4.119 1.00 0.00 H new ATOM 0 HH22 ARG A 51 79.463 7.362 5.270 1.00 0.00 H new ATOM 813 N LEU A 52 86.375 1.854 2.384 1.00 0.00 N ATOM 814 CA LEU A 52 87.205 0.732 1.952 1.00 0.00 C ATOM 815 C LEU A 52 86.394 -0.564 1.951 1.00 0.00 C ATOM 816 O LEU A 52 85.998 -1.060 3.008 1.00 0.00 O ATOM 817 CB LEU A 52 88.411 0.586 2.894 1.00 0.00 C ATOM 818 CG LEU A 52 89.720 0.834 2.131 1.00 0.00 C ATOM 819 CD1 LEU A 52 89.831 -0.133 0.946 1.00 0.00 C ATOM 820 CD2 LEU A 52 89.755 2.277 1.621 1.00 0.00 C ATOM 0 H LEU A 52 85.928 1.727 3.292 1.00 0.00 H new ATOM 0 HA LEU A 52 87.556 0.927 0.939 1.00 0.00 H new ATOM 0 HB2 LEU A 52 88.324 1.293 3.719 1.00 0.00 H new ATOM 0 HB3 LEU A 52 88.421 -0.413 3.330 1.00 0.00 H new ATOM 0 HG LEU A 52 90.559 0.667 2.806 1.00 0.00 H new ATOM 0 HD11 LEU A 52 90.763 0.052 0.412 1.00 0.00 H new ATOM 0 HD12 LEU A 52 89.820 -1.160 1.312 1.00 0.00 H new ATOM 0 HD13 LEU A 52 88.989 0.021 0.271 1.00 0.00 H new ATOM 0 HD21 LEU A 52 90.685 2.449 1.080 1.00 0.00 H new ATOM 0 HD22 LEU A 52 88.910 2.448 0.954 1.00 0.00 H new ATOM 0 HD23 LEU A 52 89.694 2.963 2.466 1.00 0.00 H new ATOM 832 N ILE A 53 86.150 -1.105 0.759 1.00 0.00 N ATOM 833 CA ILE A 53 85.386 -2.345 0.619 1.00 0.00 C ATOM 834 C ILE A 53 86.304 -3.456 0.112 1.00 0.00 C ATOM 835 O ILE A 53 86.973 -3.292 -0.908 1.00 0.00 O ATOM 836 CB ILE A 53 84.226 -2.132 -0.370 1.00 0.00 C ATOM 837 CG1 ILE A 53 83.049 -1.444 0.339 1.00 0.00 C ATOM 838 CG2 ILE A 53 83.753 -3.481 -0.928 1.00 0.00 C ATOM 839 CD1 ILE A 53 83.463 -0.047 0.813 1.00 0.00 C ATOM 0 H ILE A 53 86.469 -0.705 -0.123 1.00 0.00 H new ATOM 0 HA ILE A 53 84.978 -2.630 1.589 1.00 0.00 H new ATOM 0 HB ILE A 53 84.580 -1.503 -1.187 1.00 0.00 H new ATOM 0 HG12 ILE A 53 82.199 -1.369 -0.340 1.00 0.00 H new ATOM 0 HG13 ILE A 53 82.726 -2.044 1.190 1.00 0.00 H new ATOM 0 HG21 ILE A 53 82.932 -3.318 -1.626 1.00 0.00 H new ATOM 0 HG22 ILE A 53 84.578 -3.970 -1.446 1.00 0.00 H new ATOM 0 HG23 ILE A 53 83.412 -4.114 -0.109 1.00 0.00 H new ATOM 0 HD11 ILE A 53 82.621 0.431 1.314 1.00 0.00 H new ATOM 0 HD12 ILE A 53 84.299 -0.131 1.508 1.00 0.00 H new ATOM 0 HD13 ILE A 53 83.764 0.554 -0.045 1.00 0.00 H new ATOM 851 N TRP A 54 86.348 -4.580 0.829 1.00 0.00 N ATOM 852 CA TRP A 54 87.207 -5.692 0.431 1.00 0.00 C ATOM 853 C TRP A 54 86.473 -7.030 0.552 1.00 0.00 C ATOM 854 O TRP A 54 85.867 -7.329 1.583 1.00 0.00 O ATOM 855 CB TRP A 54 88.462 -5.707 1.314 1.00 0.00 C ATOM 856 CG TRP A 54 89.253 -6.956 1.073 1.00 0.00 C ATOM 857 CD1 TRP A 54 89.041 -8.140 1.692 1.00 0.00 C ATOM 858 CD2 TRP A 54 90.377 -7.163 0.171 1.00 0.00 C ATOM 859 NE1 TRP A 54 89.960 -9.061 1.224 1.00 0.00 N ATOM 860 CE2 TRP A 54 90.806 -8.507 0.284 1.00 0.00 C ATOM 861 CE3 TRP A 54 91.060 -6.325 -0.730 1.00 0.00 C ATOM 862 CZ2 TRP A 54 91.873 -9.001 -0.467 1.00 0.00 C ATOM 863 CZ3 TRP A 54 92.136 -6.818 -1.486 1.00 0.00 C ATOM 864 CH2 TRP A 54 92.540 -8.153 -1.355 1.00 0.00 C ATOM 0 H TRP A 54 85.806 -4.742 1.678 1.00 0.00 H new ATOM 0 HA TRP A 54 87.488 -5.554 -0.613 1.00 0.00 H new ATOM 0 HB2 TRP A 54 89.076 -4.832 1.099 1.00 0.00 H new ATOM 0 HB3 TRP A 54 88.177 -5.646 2.364 1.00 0.00 H new ATOM 0 HD1 TRP A 54 88.278 -8.334 2.431 1.00 0.00 H new ATOM 0 HE1 TRP A 54 90.007 -10.031 1.535 1.00 0.00 H new ATOM 0 HE3 TRP A 54 90.754 -5.295 -0.841 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 92.181 -10.031 -0.363 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 92.655 -6.165 -2.172 1.00 0.00 H new ATOM 0 HH2 TRP A 54 93.367 -8.527 -1.940 1.00 0.00 H new ATOM 875 N ALA A 55 86.552 -7.830 -0.511 1.00 0.00 N ATOM 876 CA ALA A 55 85.920 -9.151 -0.548 1.00 0.00 C ATOM 877 C ALA A 55 84.402 -9.070 -0.374 1.00 0.00 C ATOM 878 O ALA A 55 83.845 -9.637 0.569 1.00 0.00 O ATOM 879 CB ALA A 55 86.519 -10.051 0.539 1.00 0.00 C ATOM 0 H ALA A 55 87.052 -7.584 -1.366 1.00 0.00 H new ATOM 0 HA ALA A 55 86.117 -9.577 -1.532 1.00 0.00 H new ATOM 0 HB1 ALA A 55 86.043 -11.031 0.503 1.00 0.00 H new ATOM 0 HB2 ALA A 55 87.590 -10.162 0.370 1.00 0.00 H new ATOM 0 HB3 ALA A 55 86.351 -9.601 1.517 1.00 0.00 H new ATOM 885 N GLY A 56 83.736 -8.390 -1.308 1.00 0.00 N ATOM 886 CA GLY A 56 82.278 -8.261 -1.282 1.00 0.00 C ATOM 887 C GLY A 56 81.747 -7.772 0.065 1.00 0.00 C ATOM 888 O GLY A 56 80.538 -7.797 0.298 1.00 0.00 O ATOM 0 H GLY A 56 84.184 -7.919 -2.094 1.00 0.00 H new ATOM 0 HA2 GLY A 56 81.966 -7.568 -2.063 1.00 0.00 H new ATOM 0 HA3 GLY A 56 81.829 -9.226 -1.515 1.00 0.00 H new ATOM 892 N LYS A 57 82.641 -7.339 0.948 1.00 0.00 N ATOM 893 CA LYS A 57 82.225 -6.862 2.263 1.00 0.00 C ATOM 894 C LYS A 57 82.934 -5.562 2.620 1.00 0.00 C ATOM 895 O LYS A 57 84.116 -5.384 2.320 1.00 0.00 O ATOM 896 CB LYS A 57 82.540 -7.923 3.323 1.00 0.00 C ATOM 897 CG LYS A 57 81.749 -7.628 4.604 1.00 0.00 C ATOM 898 CD LYS A 57 82.676 -7.733 5.820 1.00 0.00 C ATOM 899 CE LYS A 57 82.974 -9.205 6.118 1.00 0.00 C ATOM 900 NZ LYS A 57 84.421 -9.364 6.441 1.00 0.00 N ATOM 0 H LYS A 57 83.647 -7.308 0.781 1.00 0.00 H new ATOM 0 HA LYS A 57 81.151 -6.676 2.235 1.00 0.00 H new ATOM 0 HB2 LYS A 57 82.284 -8.913 2.947 1.00 0.00 H new ATOM 0 HB3 LYS A 57 83.609 -7.930 3.538 1.00 0.00 H new ATOM 0 HG2 LYS A 57 81.313 -6.630 4.552 1.00 0.00 H new ATOM 0 HG3 LYS A 57 80.923 -8.332 4.703 1.00 0.00 H new ATOM 0 HD2 LYS A 57 83.605 -7.196 5.628 1.00 0.00 H new ATOM 0 HD3 LYS A 57 82.209 -7.264 6.686 1.00 0.00 H new ATOM 0 HE2 LYS A 57 82.364 -9.549 6.953 1.00 0.00 H new ATOM 0 HE3 LYS A 57 82.713 -9.821 5.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 84.825 -10.125 5.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 84.921 -8.474 6.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 84.528 -9.604 7.447 1.00 0.00 H new ATOM 914 N GLN A 58 82.205 -4.659 3.271 1.00 0.00 N ATOM 915 CA GLN A 58 82.773 -3.379 3.678 1.00 0.00 C ATOM 916 C GLN A 58 83.713 -3.579 4.860 1.00 0.00 C ATOM 917 O GLN A 58 83.353 -4.222 5.847 1.00 0.00 O ATOM 918 CB GLN A 58 81.653 -2.407 4.064 1.00 0.00 C ATOM 919 CG GLN A 58 82.172 -0.966 4.001 1.00 0.00 C ATOM 920 CD GLN A 58 81.979 -0.278 5.348 1.00 0.00 C ATOM 921 OE1 GLN A 58 82.777 -0.471 6.264 1.00 0.00 O ATOM 922 NE2 GLN A 58 80.960 0.518 5.525 1.00 0.00 N ATOM 0 H GLN A 58 81.226 -4.789 3.526 1.00 0.00 H new ATOM 0 HA GLN A 58 83.335 -2.961 2.843 1.00 0.00 H new ATOM 0 HB2 GLN A 58 80.805 -2.528 3.389 1.00 0.00 H new ATOM 0 HB3 GLN A 58 81.295 -2.631 5.069 1.00 0.00 H new ATOM 0 HG2 GLN A 58 83.228 -0.963 3.731 1.00 0.00 H new ATOM 0 HG3 GLN A 58 81.643 -0.415 3.224 1.00 0.00 H new ATOM 0 HE21 GLN A 58 80.299 0.677 4.765 1.00 0.00 H new ATOM 0 HE22 GLN A 58 80.825 0.981 6.424 1.00 0.00 H new ATOM 931 N LEU A 59 84.924 -3.037 4.748 1.00 0.00 N ATOM 932 CA LEU A 59 85.918 -3.173 5.813 1.00 0.00 C ATOM 933 C LEU A 59 85.474 -2.421 7.071 1.00 0.00 C ATOM 934 O LEU A 59 84.286 -2.401 7.397 1.00 0.00 O ATOM 935 CB LEU A 59 87.278 -2.657 5.324 1.00 0.00 C ATOM 936 CG LEU A 59 87.822 -3.599 4.242 1.00 0.00 C ATOM 937 CD1 LEU A 59 88.965 -2.917 3.483 1.00 0.00 C ATOM 938 CD2 LEU A 59 88.341 -4.883 4.897 1.00 0.00 C ATOM 0 H LEU A 59 85.240 -2.504 3.938 1.00 0.00 H new ATOM 0 HA LEU A 59 86.013 -4.228 6.071 1.00 0.00 H new ATOM 0 HB2 LEU A 59 87.174 -1.648 4.925 1.00 0.00 H new ATOM 0 HB3 LEU A 59 87.978 -2.599 6.157 1.00 0.00 H new ATOM 0 HG LEU A 59 87.021 -3.841 3.543 1.00 0.00 H new ATOM 0 HD11 LEU A 59 89.346 -3.592 2.716 1.00 0.00 H new ATOM 0 HD12 LEU A 59 88.597 -2.005 3.013 1.00 0.00 H new ATOM 0 HD13 LEU A 59 89.766 -2.668 4.179 1.00 0.00 H new ATOM 0 HD21 LEU A 59 88.728 -5.553 4.129 1.00 0.00 H new ATOM 0 HD22 LEU A 59 89.138 -4.637 5.599 1.00 0.00 H new ATOM 0 HD23 LEU A 59 87.527 -5.374 5.430 1.00 0.00 H new ATOM 950 N GLU A 60 86.423 -1.802 7.775 1.00 0.00 N ATOM 951 CA GLU A 60 86.094 -1.059 8.991 1.00 0.00 C ATOM 952 C GLU A 60 87.349 -0.481 9.636 1.00 0.00 C ATOM 953 O GLU A 60 88.416 -1.092 9.602 1.00 0.00 O ATOM 954 CB GLU A 60 85.385 -1.977 9.997 1.00 0.00 C ATOM 955 CG GLU A 60 83.934 -1.521 10.187 1.00 0.00 C ATOM 956 CD GLU A 60 83.027 -2.732 10.391 1.00 0.00 C ATOM 957 OE1 GLU A 60 82.586 -3.292 9.401 1.00 0.00 O ATOM 958 OE2 GLU A 60 82.787 -3.082 11.535 1.00 0.00 O ATOM 0 H GLU A 60 87.413 -1.800 7.528 1.00 0.00 H new ATOM 0 HA GLU A 60 85.432 -0.239 8.713 1.00 0.00 H new ATOM 0 HB2 GLU A 60 85.408 -3.007 9.641 1.00 0.00 H new ATOM 0 HB3 GLU A 60 85.909 -1.958 10.952 1.00 0.00 H new ATOM 0 HG2 GLU A 60 83.863 -0.855 11.047 1.00 0.00 H new ATOM 0 HG3 GLU A 60 83.606 -0.953 9.316 1.00 0.00 H new ATOM 965 N ASP A 61 87.203 0.703 10.223 1.00 0.00 N ATOM 966 CA ASP A 61 88.316 1.378 10.886 1.00 0.00 C ATOM 967 C ASP A 61 89.047 0.432 11.839 1.00 0.00 C ATOM 968 O ASP A 61 90.276 0.427 11.900 1.00 0.00 O ATOM 969 CB ASP A 61 87.791 2.583 11.671 1.00 0.00 C ATOM 970 CG ASP A 61 86.561 2.183 12.484 1.00 0.00 C ATOM 971 OD1 ASP A 61 85.477 2.184 11.922 1.00 0.00 O ATOM 972 OD2 ASP A 61 86.721 1.879 13.654 1.00 0.00 O ATOM 0 H ASP A 61 86.322 1.217 10.253 1.00 0.00 H new ATOM 0 HA ASP A 61 89.019 1.707 10.121 1.00 0.00 H new ATOM 0 HB2 ASP A 61 88.568 2.961 12.335 1.00 0.00 H new ATOM 0 HB3 ASP A 61 87.536 3.391 10.985 1.00 0.00 H new ATOM 977 N GLY A 62 88.279 -0.359 12.585 1.00 0.00 N ATOM 978 CA GLY A 62 88.856 -1.300 13.542 1.00 0.00 C ATOM 979 C GLY A 62 89.525 -2.482 12.843 1.00 0.00 C ATOM 980 O GLY A 62 90.175 -3.304 13.491 1.00 0.00 O ATOM 0 H GLY A 62 87.260 -0.367 12.546 1.00 0.00 H new ATOM 0 HA2 GLY A 62 89.588 -0.784 14.163 1.00 0.00 H new ATOM 0 HA3 GLY A 62 88.075 -1.666 14.208 1.00 0.00 H new ATOM 984 N ARG A 63 89.363 -2.566 11.525 1.00 0.00 N ATOM 985 CA ARG A 63 89.957 -3.659 10.759 1.00 0.00 C ATOM 986 C ARG A 63 91.408 -3.346 10.400 1.00 0.00 C ATOM 987 O ARG A 63 91.791 -2.182 10.277 1.00 0.00 O ATOM 988 CB ARG A 63 89.153 -3.902 9.477 1.00 0.00 C ATOM 989 CG ARG A 63 89.331 -5.356 9.025 1.00 0.00 C ATOM 990 CD ARG A 63 88.074 -6.161 9.364 1.00 0.00 C ATOM 991 NE ARG A 63 87.207 -6.254 8.194 1.00 0.00 N ATOM 992 CZ ARG A 63 86.137 -7.042 8.190 1.00 0.00 C ATOM 993 NH1 ARG A 63 86.225 -8.264 8.639 1.00 0.00 N ATOM 994 NH2 ARG A 63 85.000 -6.595 7.734 1.00 0.00 N ATOM 0 H ARG A 63 88.830 -1.897 10.969 1.00 0.00 H new ATOM 0 HA ARG A 63 89.936 -4.557 11.377 1.00 0.00 H new ATOM 0 HB2 ARG A 63 88.098 -3.692 9.652 1.00 0.00 H new ATOM 0 HB3 ARG A 63 89.487 -3.223 8.692 1.00 0.00 H new ATOM 0 HG2 ARG A 63 89.519 -5.393 7.952 1.00 0.00 H new ATOM 0 HG3 ARG A 63 90.199 -5.796 9.516 1.00 0.00 H new ATOM 0 HD2 ARG A 63 88.352 -7.160 9.700 1.00 0.00 H new ATOM 0 HD3 ARG A 63 87.539 -5.685 10.186 1.00 0.00 H new ATOM 0 HE ARG A 63 87.426 -5.704 7.364 1.00 0.00 H new ATOM 0 HH11 ARG A 63 87.115 -8.614 8.993 1.00 0.00 H new ATOM 0 HH12 ARG A 63 85.404 -8.869 8.636 1.00 0.00 H new ATOM 0 HH21 ARG A 63 84.932 -5.641 7.380 1.00 0.00 H new ATOM 0 HH22 ARG A 63 84.179 -7.200 7.731 1.00 0.00 H new ATOM 1008 N THR A 64 92.206 -4.400 10.234 1.00 0.00 N ATOM 1009 CA THR A 64 93.615 -4.242 9.887 1.00 0.00 C ATOM 1010 C THR A 64 93.893 -4.807 8.499 1.00 0.00 C ATOM 1011 O THR A 64 93.051 -5.490 7.915 1.00 0.00 O ATOM 1012 CB THR A 64 94.494 -4.967 10.913 1.00 0.00 C ATOM 1013 OG1 THR A 64 94.066 -6.317 11.033 1.00 0.00 O ATOM 1014 CG2 THR A 64 94.385 -4.270 12.272 1.00 0.00 C ATOM 0 H THR A 64 91.901 -5.368 10.334 1.00 0.00 H new ATOM 0 HA THR A 64 93.849 -3.178 9.891 1.00 0.00 H new ATOM 0 HB THR A 64 95.532 -4.943 10.581 1.00 0.00 H new ATOM 0 HG1 THR A 64 94.628 -6.782 11.687 1.00 0.00 H new ATOM 0 HG21 THR A 64 95.011 -4.788 12.998 1.00 0.00 H new ATOM 0 HG22 THR A 64 94.718 -3.236 12.178 1.00 0.00 H new ATOM 0 HG23 THR A 64 93.348 -4.288 12.608 1.00 0.00 H new ATOM 1022 N LEU A 65 95.084 -4.521 7.982 1.00 0.00 N ATOM 1023 CA LEU A 65 95.479 -5.007 6.666 1.00 0.00 C ATOM 1024 C LEU A 65 95.755 -6.507 6.733 1.00 0.00 C ATOM 1025 O LEU A 65 95.371 -7.264 5.841 1.00 0.00 O ATOM 1026 CB LEU A 65 96.734 -4.251 6.192 1.00 0.00 C ATOM 1027 CG LEU A 65 96.333 -3.046 5.325 1.00 0.00 C ATOM 1028 CD1 LEU A 65 97.568 -2.490 4.614 1.00 0.00 C ATOM 1029 CD2 LEU A 65 95.298 -3.464 4.272 1.00 0.00 C ATOM 0 H LEU A 65 95.790 -3.956 8.454 1.00 0.00 H new ATOM 0 HA LEU A 65 94.672 -4.831 5.955 1.00 0.00 H new ATOM 0 HB2 LEU A 65 97.310 -3.913 7.053 1.00 0.00 H new ATOM 0 HB3 LEU A 65 97.377 -4.921 5.621 1.00 0.00 H new ATOM 0 HG LEU A 65 95.899 -2.283 5.972 1.00 0.00 H new ATOM 0 HD11 LEU A 65 97.281 -1.636 4.000 1.00 0.00 H new ATOM 0 HD12 LEU A 65 98.303 -2.174 5.355 1.00 0.00 H new ATOM 0 HD13 LEU A 65 98.002 -3.263 3.980 1.00 0.00 H new ATOM 0 HD21 LEU A 65 95.025 -2.599 3.667 1.00 0.00 H new ATOM 0 HD22 LEU A 65 95.723 -4.236 3.631 1.00 0.00 H new ATOM 0 HD23 LEU A 65 94.410 -3.854 4.769 1.00 0.00 H new ATOM 1041 N SER A 66 96.420 -6.920 7.807 1.00 0.00 N ATOM 1042 CA SER A 66 96.751 -8.326 8.019 1.00 0.00 C ATOM 1043 C SER A 66 95.484 -9.151 8.246 1.00 0.00 C ATOM 1044 O SER A 66 95.527 -10.381 8.256 1.00 0.00 O ATOM 1045 CB SER A 66 97.679 -8.464 9.227 1.00 0.00 C ATOM 1046 OG SER A 66 98.088 -9.819 9.356 1.00 0.00 O ATOM 0 H SER A 66 96.742 -6.298 8.548 1.00 0.00 H new ATOM 0 HA SER A 66 97.255 -8.700 7.128 1.00 0.00 H new ATOM 0 HB2 SER A 66 98.550 -7.820 9.106 1.00 0.00 H new ATOM 0 HB3 SER A 66 97.166 -8.140 10.132 1.00 0.00 H new ATOM 0 HG SER A 66 97.400 -10.406 8.978 1.00 0.00 H new ATOM 1052 N ASP A 67 94.357 -8.460 8.416 1.00 0.00 N ATOM 1053 CA ASP A 67 93.077 -9.134 8.628 1.00 0.00 C ATOM 1054 C ASP A 67 92.758 -10.037 7.440 1.00 0.00 C ATOM 1055 O ASP A 67 92.002 -11.000 7.561 1.00 0.00 O ATOM 1056 CB ASP A 67 91.964 -8.097 8.801 1.00 0.00 C ATOM 1057 CG ASP A 67 90.676 -8.777 9.258 1.00 0.00 C ATOM 1058 OD1 ASP A 67 90.509 -8.944 10.454 1.00 0.00 O ATOM 1059 OD2 ASP A 67 89.873 -9.119 8.403 1.00 0.00 O ATOM 0 H ASP A 67 94.304 -7.441 8.411 1.00 0.00 H new ATOM 0 HA ASP A 67 93.144 -9.742 9.530 1.00 0.00 H new ATOM 0 HB2 ASP A 67 92.267 -7.347 9.531 1.00 0.00 H new ATOM 0 HB3 ASP A 67 91.794 -7.575 7.859 1.00 0.00 H new ATOM 1064 N TYR A 68 93.356 -9.712 6.295 1.00 0.00 N ATOM 1065 CA TYR A 68 93.154 -10.487 5.075 1.00 0.00 C ATOM 1066 C TYR A 68 94.499 -10.929 4.502 1.00 0.00 C ATOM 1067 O TYR A 68 94.548 -11.678 3.526 1.00 0.00 O ATOM 1068 CB TYR A 68 92.409 -9.644 4.035 1.00 0.00 C ATOM 1069 CG TYR A 68 91.009 -9.352 4.524 1.00 0.00 C ATOM 1070 CD1 TYR A 68 89.996 -10.306 4.361 1.00 0.00 C ATOM 1071 CD2 TYR A 68 90.723 -8.129 5.143 1.00 0.00 C ATOM 1072 CE1 TYR A 68 88.700 -10.037 4.813 1.00 0.00 C ATOM 1073 CE2 TYR A 68 89.426 -7.860 5.596 1.00 0.00 C ATOM 1074 CZ TYR A 68 88.415 -8.813 5.431 1.00 0.00 C ATOM 1075 OH TYR A 68 87.137 -8.547 5.878 1.00 0.00 O ATOM 0 H TYR A 68 93.985 -8.916 6.188 1.00 0.00 H new ATOM 0 HA TYR A 68 92.561 -11.369 5.318 1.00 0.00 H new ATOM 0 HB2 TYR A 68 92.944 -8.711 3.858 1.00 0.00 H new ATOM 0 HB3 TYR A 68 92.369 -10.175 3.084 1.00 0.00 H new ATOM 0 HD1 TYR A 68 90.216 -11.250 3.886 1.00 0.00 H new ATOM 0 HD2 TYR A 68 91.503 -7.393 5.271 1.00 0.00 H new ATOM 0 HE1 TYR A 68 87.920 -10.773 4.686 1.00 0.00 H new ATOM 0 HE2 TYR A 68 89.206 -6.916 6.073 1.00 0.00 H new ATOM 0 HH TYR A 68 86.911 -7.613 5.685 1.00 0.00 H new ATOM 1085 N ASN A 69 95.585 -10.438 5.105 1.00 0.00 N ATOM 1086 CA ASN A 69 96.936 -10.760 4.645 1.00 0.00 C ATOM 1087 C ASN A 69 97.235 -9.985 3.366 1.00 0.00 C ATOM 1088 O ASN A 69 97.784 -10.524 2.403 1.00 0.00 O ATOM 1089 CB ASN A 69 97.093 -12.268 4.403 1.00 0.00 C ATOM 1090 CG ASN A 69 96.444 -13.054 5.539 1.00 0.00 C ATOM 1091 OD1 ASN A 69 95.545 -13.861 5.303 1.00 0.00 O ATOM 1092 ND2 ASN A 69 96.848 -12.864 6.765 1.00 0.00 N ATOM 0 H ASN A 69 95.554 -9.816 5.913 1.00 0.00 H new ATOM 0 HA ASN A 69 97.646 -10.471 5.420 1.00 0.00 H new ATOM 0 HB2 ASN A 69 96.634 -12.541 3.453 1.00 0.00 H new ATOM 0 HB3 ASN A 69 98.150 -12.524 4.331 1.00 0.00 H new ATOM 0 HD21 ASN A 69 96.419 -13.385 7.530 1.00 0.00 H new ATOM 0 HD22 ASN A 69 97.593 -12.195 6.959 1.00 0.00 H new ATOM 1099 N ILE A 70 96.854 -8.711 3.375 1.00 0.00 N ATOM 1100 CA ILE A 70 97.059 -7.837 2.226 1.00 0.00 C ATOM 1101 C ILE A 70 98.548 -7.599 1.989 1.00 0.00 C ATOM 1102 O ILE A 70 99.240 -7.031 2.837 1.00 0.00 O ATOM 1103 CB ILE A 70 96.345 -6.500 2.460 1.00 0.00 C ATOM 1104 CG1 ILE A 70 94.829 -6.733 2.563 1.00 0.00 C ATOM 1105 CG2 ILE A 70 96.638 -5.536 1.303 1.00 0.00 C ATOM 1106 CD1 ILE A 70 94.317 -7.460 1.315 1.00 0.00 C ATOM 0 H ILE A 70 96.400 -8.260 4.169 1.00 0.00 H new ATOM 0 HA ILE A 70 96.643 -8.319 1.341 1.00 0.00 H new ATOM 0 HB ILE A 70 96.710 -6.063 3.389 1.00 0.00 H new ATOM 0 HG12 ILE A 70 94.604 -7.321 3.453 1.00 0.00 H new ATOM 0 HG13 ILE A 70 94.314 -5.779 2.673 1.00 0.00 H new ATOM 0 HG21 ILE A 70 96.126 -4.590 1.479 1.00 0.00 H new ATOM 0 HG22 ILE A 70 97.712 -5.361 1.238 1.00 0.00 H new ATOM 0 HG23 ILE A 70 96.284 -5.971 0.368 1.00 0.00 H new ATOM 0 HD11 ILE A 70 93.242 -7.618 1.402 1.00 0.00 H new ATOM 0 HD12 ILE A 70 94.525 -6.857 0.431 1.00 0.00 H new ATOM 0 HD13 ILE A 70 94.819 -8.423 1.223 1.00 0.00 H new ATOM 1118 N GLN A 71 99.028 -8.032 0.827 1.00 0.00 N ATOM 1119 CA GLN A 71 100.433 -7.862 0.471 1.00 0.00 C ATOM 1120 C GLN A 71 100.620 -6.603 -0.370 1.00 0.00 C ATOM 1121 O GLN A 71 99.650 -6.017 -0.853 1.00 0.00 O ATOM 1122 CB GLN A 71 100.924 -9.077 -0.321 1.00 0.00 C ATOM 1123 CG GLN A 71 101.076 -10.278 0.617 1.00 0.00 C ATOM 1124 CD GLN A 71 101.822 -11.403 -0.094 1.00 0.00 C ATOM 1125 OE1 GLN A 71 103.048 -11.478 -0.021 1.00 0.00 O ATOM 1126 NE2 GLN A 71 101.152 -12.287 -0.783 1.00 0.00 N ATOM 0 H GLN A 71 98.466 -8.502 0.117 1.00 0.00 H new ATOM 0 HA GLN A 71 101.012 -7.768 1.390 1.00 0.00 H new ATOM 0 HB2 GLN A 71 100.219 -9.313 -1.118 1.00 0.00 H new ATOM 0 HB3 GLN A 71 101.879 -8.852 -0.796 1.00 0.00 H new ATOM 0 HG2 GLN A 71 101.618 -9.982 1.515 1.00 0.00 H new ATOM 0 HG3 GLN A 71 100.094 -10.627 0.937 1.00 0.00 H new ATOM 0 HE21 GLN A 71 100.136 -12.224 -0.843 1.00 0.00 H new ATOM 0 HE22 GLN A 71 101.645 -13.041 -1.262 1.00 0.00 H new ATOM 1135 N ARG A 72 101.874 -6.196 -0.539 1.00 0.00 N ATOM 1136 CA ARG A 72 102.185 -5.004 -1.328 1.00 0.00 C ATOM 1137 C ARG A 72 101.552 -5.111 -2.715 1.00 0.00 C ATOM 1138 O ARG A 72 100.962 -4.152 -3.213 1.00 0.00 O ATOM 1139 CB ARG A 72 103.707 -4.813 -1.460 1.00 0.00 C ATOM 1140 CG ARG A 72 104.454 -5.998 -0.835 1.00 0.00 C ATOM 1141 CD ARG A 72 105.962 -5.766 -0.938 1.00 0.00 C ATOM 1142 NE ARG A 72 106.414 -5.969 -2.310 1.00 0.00 N ATOM 1143 CZ ARG A 72 107.688 -5.799 -2.647 1.00 0.00 C ATOM 1144 NH1 ARG A 72 108.275 -4.655 -2.420 1.00 0.00 N ATOM 1145 NH2 ARG A 72 108.352 -6.776 -3.200 1.00 0.00 N ATOM 0 H ARG A 72 102.687 -6.668 -0.144 1.00 0.00 H new ATOM 0 HA ARG A 72 101.773 -4.137 -0.811 1.00 0.00 H new ATOM 0 HB2 ARG A 72 103.978 -4.719 -2.512 1.00 0.00 H new ATOM 0 HB3 ARG A 72 104.007 -3.887 -0.970 1.00 0.00 H new ATOM 0 HG2 ARG A 72 104.164 -6.114 0.209 1.00 0.00 H new ATOM 0 HG3 ARG A 72 104.182 -6.922 -1.345 1.00 0.00 H new ATOM 0 HD2 ARG A 72 106.204 -4.754 -0.615 1.00 0.00 H new ATOM 0 HD3 ARG A 72 106.488 -6.448 -0.270 1.00 0.00 H new ATOM 0 HE ARG A 72 105.740 -6.246 -3.023 1.00 0.00 H new ATOM 0 HH11 ARG A 72 107.756 -3.893 -1.984 1.00 0.00 H new ATOM 0 HH12 ARG A 72 109.253 -4.523 -2.678 1.00 0.00 H new ATOM 0 HH21 ARG A 72 107.893 -7.670 -3.374 1.00 0.00 H new ATOM 0 HH22 ARG A 72 109.330 -6.646 -3.459 1.00 0.00 H new ATOM 1159 N GLU A 73 101.678 -6.283 -3.333 1.00 0.00 N ATOM 1160 CA GLU A 73 101.112 -6.504 -4.662 1.00 0.00 C ATOM 1161 C GLU A 73 99.631 -6.884 -4.567 1.00 0.00 C ATOM 1162 O GLU A 73 99.193 -7.872 -5.159 1.00 0.00 O ATOM 1163 CB GLU A 73 101.888 -7.613 -5.386 1.00 0.00 C ATOM 1164 CG GLU A 73 102.057 -8.825 -4.458 1.00 0.00 C ATOM 1165 CD GLU A 73 101.591 -10.096 -5.164 1.00 0.00 C ATOM 1166 OE1 GLU A 73 102.350 -10.622 -5.960 1.00 0.00 O ATOM 1167 OE2 GLU A 73 100.480 -10.525 -4.896 1.00 0.00 O ATOM 0 H GLU A 73 102.163 -7.089 -2.939 1.00 0.00 H new ATOM 0 HA GLU A 73 101.196 -5.576 -5.228 1.00 0.00 H new ATOM 0 HB2 GLU A 73 101.358 -7.908 -6.291 1.00 0.00 H new ATOM 0 HB3 GLU A 73 102.865 -7.242 -5.696 1.00 0.00 H new ATOM 0 HG2 GLU A 73 103.102 -8.925 -4.165 1.00 0.00 H new ATOM 0 HG3 GLU A 73 101.482 -8.676 -3.544 1.00 0.00 H new ATOM 1174 N SER A 74 98.864 -6.091 -3.818 1.00 0.00 N ATOM 1175 CA SER A 74 97.435 -6.349 -3.651 1.00 0.00 C ATOM 1176 C SER A 74 96.607 -5.192 -4.207 1.00 0.00 C ATOM 1177 O SER A 74 97.030 -4.036 -4.158 1.00 0.00 O ATOM 1178 CB SER A 74 97.106 -6.543 -2.171 1.00 0.00 C ATOM 1179 OG SER A 74 95.756 -6.966 -2.040 1.00 0.00 O ATOM 0 H SER A 74 99.207 -5.269 -3.320 1.00 0.00 H new ATOM 0 HA SER A 74 97.187 -7.256 -4.202 1.00 0.00 H new ATOM 0 HB2 SER A 74 97.775 -7.283 -1.732 1.00 0.00 H new ATOM 0 HB3 SER A 74 97.261 -5.611 -1.627 1.00 0.00 H new ATOM 0 HG SER A 74 95.694 -7.652 -1.343 1.00 0.00 H new ATOM 1185 N THR A 75 95.425 -5.517 -4.727 1.00 0.00 N ATOM 1186 CA THR A 75 94.531 -4.505 -5.288 1.00 0.00 C ATOM 1187 C THR A 75 93.363 -4.248 -4.338 1.00 0.00 C ATOM 1188 O THR A 75 92.413 -5.029 -4.276 1.00 0.00 O ATOM 1189 CB THR A 75 94.002 -4.971 -6.650 1.00 0.00 C ATOM 1190 OG1 THR A 75 95.078 -5.490 -7.421 1.00 0.00 O ATOM 1191 CG2 THR A 75 93.365 -3.791 -7.389 1.00 0.00 C ATOM 0 H THR A 75 95.064 -6.470 -4.772 1.00 0.00 H new ATOM 0 HA THR A 75 95.089 -3.578 -5.420 1.00 0.00 H new ATOM 0 HB THR A 75 93.252 -5.747 -6.500 1.00 0.00 H new ATOM 0 HG1 THR A 75 94.742 -5.790 -8.291 1.00 0.00 H new ATOM 0 HG21 THR A 75 92.991 -4.127 -8.356 1.00 0.00 H new ATOM 0 HG22 THR A 75 92.539 -3.394 -6.798 1.00 0.00 H new ATOM 0 HG23 THR A 75 94.111 -3.011 -7.540 1.00 0.00 H new ATOM 1199 N LEU A 76 93.453 -3.149 -3.593 1.00 0.00 N ATOM 1200 CA LEU A 76 92.413 -2.787 -2.635 1.00 0.00 C ATOM 1201 C LEU A 76 91.288 -2.013 -3.314 1.00 0.00 C ATOM 1202 O LEU A 76 91.513 -0.942 -3.880 1.00 0.00 O ATOM 1203 CB LEU A 76 93.015 -1.926 -1.518 1.00 0.00 C ATOM 1204 CG LEU A 76 93.025 -2.713 -0.202 1.00 0.00 C ATOM 1205 CD1 LEU A 76 94.023 -3.871 -0.302 1.00 0.00 C ATOM 1206 CD2 LEU A 76 93.432 -1.784 0.948 1.00 0.00 C ATOM 0 H LEU A 76 94.234 -2.495 -3.634 1.00 0.00 H new ATOM 0 HA LEU A 76 92.002 -3.706 -2.217 1.00 0.00 H new ATOM 0 HB2 LEU A 76 94.030 -1.629 -1.782 1.00 0.00 H new ATOM 0 HB3 LEU A 76 92.436 -1.010 -1.400 1.00 0.00 H new ATOM 0 HG LEU A 76 92.028 -3.111 -0.012 1.00 0.00 H new ATOM 0 HD11 LEU A 76 94.028 -4.429 0.635 1.00 0.00 H new ATOM 0 HD12 LEU A 76 93.731 -4.533 -1.117 1.00 0.00 H new ATOM 0 HD13 LEU A 76 95.020 -3.476 -0.495 1.00 0.00 H new ATOM 0 HD21 LEU A 76 93.439 -2.344 1.883 1.00 0.00 H new ATOM 0 HD22 LEU A 76 94.428 -1.384 0.757 1.00 0.00 H new ATOM 0 HD23 LEU A 76 92.719 -0.963 1.022 1.00 0.00 H new ATOM 1218 N HIS A 77 90.076 -2.551 -3.238 1.00 0.00 N ATOM 1219 CA HIS A 77 88.924 -1.889 -3.832 1.00 0.00 C ATOM 1220 C HIS A 77 88.461 -0.758 -2.920 1.00 0.00 C ATOM 1221 O HIS A 77 87.886 -1.000 -1.858 1.00 0.00 O ATOM 1222 CB HIS A 77 87.786 -2.892 -4.042 1.00 0.00 C ATOM 1223 CG HIS A 77 87.053 -2.560 -5.312 1.00 0.00 C ATOM 1224 ND1 HIS A 77 85.821 -2.000 -5.540 1.00 0.00 N flip ATOM 1225 CD2 HIS A 77 87.595 -2.803 -6.564 1.00 0.00 C flip ATOM 1226 CE1 HIS A 77 85.600 -1.895 -6.911 1.00 0.00 C flip ATOM 1227 NE2 HIS A 77 86.701 -2.394 -7.480 1.00 0.00 N flip ATOM 0 H HIS A 77 89.868 -3.436 -2.775 1.00 0.00 H new ATOM 0 HA HIS A 77 89.209 -1.479 -4.801 1.00 0.00 H new ATOM 0 HB2 HIS A 77 88.185 -3.905 -4.094 1.00 0.00 H new ATOM 0 HB3 HIS A 77 87.100 -2.863 -3.195 1.00 0.00 H new ATOM 0 HD2 HIS A 77 88.561 -3.242 -6.767 1.00 0.00 H new ATOM 0 HE1 HIS A 77 84.727 -1.496 -7.407 1.00 0.00 H new ATOM 0 HE2 HIS A 77 86.845 -2.457 -8.488 1.00 0.00 H new ATOM 1235 N LEU A 78 88.723 0.476 -3.337 1.00 0.00 N ATOM 1236 CA LEU A 78 88.341 1.641 -2.549 1.00 0.00 C ATOM 1237 C LEU A 78 87.043 2.246 -3.075 1.00 0.00 C ATOM 1238 O LEU A 78 86.884 2.444 -4.279 1.00 0.00 O ATOM 1239 CB LEU A 78 89.461 2.687 -2.616 1.00 0.00 C ATOM 1240 CG LEU A 78 89.095 3.908 -1.762 1.00 0.00 C ATOM 1241 CD1 LEU A 78 90.363 4.485 -1.128 1.00 0.00 C ATOM 1242 CD2 LEU A 78 88.436 4.978 -2.641 1.00 0.00 C ATOM 0 H LEU A 78 89.197 0.695 -4.213 1.00 0.00 H new ATOM 0 HA LEU A 78 88.184 1.331 -1.516 1.00 0.00 H new ATOM 0 HB2 LEU A 78 90.396 2.253 -2.262 1.00 0.00 H new ATOM 0 HB3 LEU A 78 89.623 2.992 -3.650 1.00 0.00 H new ATOM 0 HG LEU A 78 88.399 3.603 -0.980 1.00 0.00 H new ATOM 0 HD11 LEU A 78 90.104 5.353 -0.521 1.00 0.00 H new ATOM 0 HD12 LEU A 78 90.832 3.729 -0.498 1.00 0.00 H new ATOM 0 HD13 LEU A 78 91.058 4.785 -1.912 1.00 0.00 H new ATOM 0 HD21 LEU A 78 88.178 5.843 -2.030 1.00 0.00 H new ATOM 0 HD22 LEU A 78 89.129 5.282 -3.425 1.00 0.00 H new ATOM 0 HD23 LEU A 78 87.532 4.571 -3.093 1.00 0.00 H new ATOM 1254 N VAL A 79 86.121 2.538 -2.164 1.00 0.00 N ATOM 1255 CA VAL A 79 84.843 3.128 -2.542 1.00 0.00 C ATOM 1256 C VAL A 79 84.904 4.646 -2.381 1.00 0.00 C ATOM 1257 O VAL A 79 85.251 5.153 -1.313 1.00 0.00 O ATOM 1258 CB VAL A 79 83.724 2.539 -1.671 1.00 0.00 C ATOM 1259 CG1 VAL A 79 82.604 3.566 -1.477 1.00 0.00 C ATOM 1260 CG2 VAL A 79 83.153 1.293 -2.355 1.00 0.00 C ATOM 0 H VAL A 79 86.234 2.377 -1.163 1.00 0.00 H new ATOM 0 HA VAL A 79 84.632 2.898 -3.586 1.00 0.00 H new ATOM 0 HB VAL A 79 84.136 2.275 -0.697 1.00 0.00 H new ATOM 0 HG11 VAL A 79 81.818 3.134 -0.858 1.00 0.00 H new ATOM 0 HG12 VAL A 79 83.005 4.454 -0.988 1.00 0.00 H new ATOM 0 HG13 VAL A 79 82.191 3.842 -2.447 1.00 0.00 H new ATOM 0 HG21 VAL A 79 82.358 0.872 -1.739 1.00 0.00 H new ATOM 0 HG22 VAL A 79 82.751 1.566 -3.331 1.00 0.00 H new ATOM 0 HG23 VAL A 79 83.943 0.553 -2.482 1.00 0.00 H new ATOM 1270 N LEU A 80 84.574 5.364 -3.454 1.00 0.00 N ATOM 1271 CA LEU A 80 84.600 6.823 -3.432 1.00 0.00 C ATOM 1272 C LEU A 80 83.187 7.389 -3.539 1.00 0.00 C ATOM 1273 O LEU A 80 82.507 7.197 -4.549 1.00 0.00 O ATOM 1274 CB LEU A 80 85.451 7.338 -4.599 1.00 0.00 C ATOM 1275 CG LEU A 80 86.286 8.540 -4.145 1.00 0.00 C ATOM 1276 CD1 LEU A 80 87.512 8.052 -3.367 1.00 0.00 C ATOM 1277 CD2 LEU A 80 86.745 9.333 -5.374 1.00 0.00 C ATOM 0 H LEU A 80 84.287 4.960 -4.345 1.00 0.00 H new ATOM 0 HA LEU A 80 85.034 7.150 -2.487 1.00 0.00 H new ATOM 0 HB2 LEU A 80 86.106 6.545 -4.961 1.00 0.00 H new ATOM 0 HB3 LEU A 80 84.808 7.624 -5.431 1.00 0.00 H new ATOM 0 HG LEU A 80 85.681 9.179 -3.502 1.00 0.00 H new ATOM 0 HD11 LEU A 80 88.104 8.909 -3.046 1.00 0.00 H new ATOM 0 HD12 LEU A 80 87.187 7.487 -2.493 1.00 0.00 H new ATOM 0 HD13 LEU A 80 88.119 7.412 -4.008 1.00 0.00 H new ATOM 0 HD21 LEU A 80 87.339 10.189 -5.054 1.00 0.00 H new ATOM 0 HD22 LEU A 80 87.349 8.692 -6.016 1.00 0.00 H new ATOM 0 HD23 LEU A 80 85.874 9.683 -5.927 1.00 0.00 H new ATOM 1289 N ARG A 81 82.754 8.090 -2.494 1.00 0.00 N ATOM 1290 CA ARG A 81 81.419 8.682 -2.481 1.00 0.00 C ATOM 1291 C ARG A 81 81.382 9.930 -3.362 1.00 0.00 C ATOM 1292 O ARG A 81 82.423 10.503 -3.687 1.00 0.00 O ATOM 1293 CB ARG A 81 81.007 9.020 -1.038 1.00 0.00 C ATOM 1294 CG ARG A 81 81.044 10.536 -0.805 1.00 0.00 C ATOM 1295 CD ARG A 81 80.912 10.830 0.691 1.00 0.00 C ATOM 1296 NE ARG A 81 79.592 10.437 1.171 1.00 0.00 N ATOM 1297 CZ ARG A 81 79.420 9.974 2.403 1.00 0.00 C ATOM 1298 NH1 ARG A 81 79.795 8.761 2.703 1.00 0.00 N ATOM 1299 NH2 ARG A 81 78.878 10.732 3.316 1.00 0.00 N ATOM 0 H ARG A 81 83.303 8.261 -1.652 1.00 0.00 H new ATOM 0 HA ARG A 81 80.708 7.961 -2.884 1.00 0.00 H new ATOM 0 HB2 ARG A 81 80.004 8.641 -0.843 1.00 0.00 H new ATOM 0 HB3 ARG A 81 81.677 8.523 -0.337 1.00 0.00 H new ATOM 0 HG2 ARG A 81 81.978 10.950 -1.186 1.00 0.00 H new ATOM 0 HG3 ARG A 81 80.235 11.018 -1.353 1.00 0.00 H new ATOM 0 HD2 ARG A 81 81.682 10.292 1.243 1.00 0.00 H new ATOM 0 HD3 ARG A 81 81.072 11.892 0.875 1.00 0.00 H new ATOM 0 HE ARG A 81 78.787 10.519 0.549 1.00 0.00 H new ATOM 0 HH11 ARG A 81 80.221 8.168 1.991 1.00 0.00 H new ATOM 0 HH12 ARG A 81 79.663 8.406 3.650 1.00 0.00 H new ATOM 0 HH21 ARG A 81 78.586 11.681 3.083 1.00 0.00 H new ATOM 0 HH22 ARG A 81 78.746 10.375 4.263 1.00 0.00 H new ATOM 1313 N LEU A 82 80.177 10.340 -3.747 1.00 0.00 N ATOM 1314 CA LEU A 82 80.013 11.516 -4.595 1.00 0.00 C ATOM 1315 C LEU A 82 80.158 12.801 -3.783 1.00 0.00 C ATOM 1316 O LEU A 82 79.452 13.008 -2.795 1.00 0.00 O ATOM 1317 CB LEU A 82 78.639 11.485 -5.270 1.00 0.00 C ATOM 1318 CG LEU A 82 78.611 12.488 -6.431 1.00 0.00 C ATOM 1319 CD1 LEU A 82 78.216 11.769 -7.723 1.00 0.00 C ATOM 1320 CD2 LEU A 82 77.590 13.590 -6.131 1.00 0.00 C ATOM 0 H LEU A 82 79.305 9.879 -3.487 1.00 0.00 H new ATOM 0 HA LEU A 82 80.794 11.499 -5.355 1.00 0.00 H new ATOM 0 HB2 LEU A 82 78.427 10.481 -5.638 1.00 0.00 H new ATOM 0 HB3 LEU A 82 77.862 11.730 -4.546 1.00 0.00 H new ATOM 0 HG LEU A 82 79.601 12.929 -6.549 1.00 0.00 H new ATOM 0 HD11 LEU A 82 78.197 12.484 -8.546 1.00 0.00 H new ATOM 0 HD12 LEU A 82 78.942 10.985 -7.940 1.00 0.00 H new ATOM 0 HD13 LEU A 82 77.227 11.325 -7.605 1.00 0.00 H new ATOM 0 HD21 LEU A 82 77.570 14.302 -6.956 1.00 0.00 H new ATOM 0 HD22 LEU A 82 76.601 13.147 -6.011 1.00 0.00 H new ATOM 0 HD23 LEU A 82 77.871 14.106 -5.213 1.00 0.00 H new ATOM 1332 N ARG A 83 81.074 13.660 -4.219 1.00 0.00 N ATOM 1333 CA ARG A 83 81.317 14.933 -3.545 1.00 0.00 C ATOM 1334 C ARG A 83 80.634 16.072 -4.300 1.00 0.00 C ATOM 1335 O ARG A 83 80.599 17.208 -3.825 1.00 0.00 O ATOM 1336 CB ARG A 83 82.823 15.204 -3.464 1.00 0.00 C ATOM 1337 CG ARG A 83 83.446 15.124 -4.865 1.00 0.00 C ATOM 1338 CD ARG A 83 84.104 16.461 -5.216 1.00 0.00 C ATOM 1339 NE ARG A 83 83.087 17.484 -5.442 1.00 0.00 N ATOM 1340 CZ ARG A 83 83.359 18.775 -5.277 1.00 0.00 C ATOM 1341 NH1 ARG A 83 83.659 19.231 -4.092 1.00 0.00 N ATOM 1342 NH2 ARG A 83 83.328 19.583 -6.300 1.00 0.00 N ATOM 0 H ARG A 83 81.661 13.498 -5.037 1.00 0.00 H new ATOM 0 HA ARG A 83 80.905 14.876 -2.538 1.00 0.00 H new ATOM 0 HB2 ARG A 83 83.001 16.189 -3.033 1.00 0.00 H new ATOM 0 HB3 ARG A 83 83.297 14.477 -2.804 1.00 0.00 H new ATOM 0 HG2 ARG A 83 84.186 14.324 -4.899 1.00 0.00 H new ATOM 0 HG3 ARG A 83 82.679 14.881 -5.601 1.00 0.00 H new ATOM 0 HD2 ARG A 83 84.767 16.770 -4.408 1.00 0.00 H new ATOM 0 HD3 ARG A 83 84.720 16.348 -6.108 1.00 0.00 H new ATOM 0 HE ARG A 83 82.150 17.203 -5.732 1.00 0.00 H new ATOM 0 HH11 ARG A 83 83.685 18.597 -3.293 1.00 0.00 H new ATOM 0 HH12 ARG A 83 83.868 20.221 -3.964 1.00 0.00 H new ATOM 0 HH21 ARG A 83 83.095 19.225 -7.226 1.00 0.00 H new ATOM 0 HH22 ARG A 83 83.537 20.573 -6.174 1.00 0.00 H new ATOM 1356 N GLY A 84 80.098 15.757 -5.477 1.00 0.00 N ATOM 1357 CA GLY A 84 79.421 16.755 -6.299 1.00 0.00 C ATOM 1358 C GLY A 84 80.284 17.146 -7.493 1.00 0.00 C ATOM 1359 O GLY A 84 80.909 18.207 -7.498 1.00 0.00 O ATOM 0 H GLY A 84 80.120 14.821 -5.881 1.00 0.00 H new ATOM 0 HA2 GLY A 84 78.467 16.359 -6.648 1.00 0.00 H new ATOM 0 HA3 GLY A 84 79.200 17.638 -5.699 1.00 0.00 H new ATOM 1363 N GLY A 85 80.313 16.280 -8.503 1.00 0.00 N ATOM 1364 CA GLY A 85 81.102 16.538 -9.703 1.00 0.00 C ATOM 1365 C GLY A 85 81.077 15.337 -10.642 1.00 0.00 C ATOM 1366 O GLY A 85 81.678 14.301 -10.352 1.00 0.00 O ATOM 0 H GLY A 85 79.802 15.398 -8.514 1.00 0.00 H new ATOM 0 HA2 GLY A 85 80.711 17.415 -10.218 1.00 0.00 H new ATOM 0 HA3 GLY A 85 82.131 16.765 -9.424 1.00 0.00 H new ATOM 1370 N SER A 86 80.378 15.487 -11.766 1.00 0.00 N ATOM 1371 CA SER A 86 80.274 14.413 -12.754 1.00 0.00 C ATOM 1372 C SER A 86 79.725 13.136 -12.115 1.00 0.00 C ATOM 1373 O SER A 86 80.480 12.220 -11.785 1.00 0.00 O ATOM 1374 CB SER A 86 81.646 14.135 -13.376 1.00 0.00 C ATOM 1375 OG SER A 86 81.496 13.227 -14.459 1.00 0.00 O ATOM 0 H SER A 86 79.876 16.339 -12.015 1.00 0.00 H new ATOM 0 HA SER A 86 79.584 14.733 -13.534 1.00 0.00 H new ATOM 0 HB2 SER A 86 82.095 15.065 -13.726 1.00 0.00 H new ATOM 0 HB3 SER A 86 82.320 13.718 -12.627 1.00 0.00 H new ATOM 0 HG SER A 86 82.372 13.048 -14.860 1.00 0.00 H new ATOM 1381 N MET A 87 78.406 13.086 -11.945 1.00 0.00 N ATOM 1382 CA MET A 87 77.763 11.919 -11.346 1.00 0.00 C ATOM 1383 C MET A 87 77.810 10.731 -12.303 1.00 0.00 C ATOM 1384 O MET A 87 78.135 9.612 -11.901 1.00 0.00 O ATOM 1385 CB MET A 87 76.305 12.244 -11.000 1.00 0.00 C ATOM 1386 CG MET A 87 75.661 11.045 -10.298 1.00 0.00 C ATOM 1387 SD MET A 87 74.303 11.618 -9.247 1.00 0.00 S ATOM 1388 CE MET A 87 73.014 11.643 -10.519 1.00 0.00 C ATOM 0 H MET A 87 77.765 13.834 -12.211 1.00 0.00 H new ATOM 0 HA MET A 87 78.302 11.658 -10.435 1.00 0.00 H new ATOM 0 HB2 MET A 87 76.261 13.122 -10.355 1.00 0.00 H new ATOM 0 HB3 MET A 87 75.751 12.487 -11.907 1.00 0.00 H new ATOM 0 HG2 MET A 87 75.289 10.335 -11.036 1.00 0.00 H new ATOM 0 HG3 MET A 87 76.404 10.520 -9.697 1.00 0.00 H new ATOM 0 HE1 MET A 87 72.074 11.974 -10.078 1.00 0.00 H new ATOM 0 HE2 MET A 87 73.302 12.329 -11.316 1.00 0.00 H new ATOM 0 HE3 MET A 87 72.889 10.641 -10.930 1.00 0.00 H new ATOM 1398 N GLY A 88 77.480 10.982 -13.567 1.00 0.00 N ATOM 1399 CA GLY A 88 77.483 9.927 -14.575 1.00 0.00 C ATOM 1400 C GLY A 88 76.273 9.016 -14.411 1.00 0.00 C ATOM 1401 O GLY A 88 75.261 9.186 -15.093 1.00 0.00 O ATOM 0 H GLY A 88 77.209 11.901 -13.916 1.00 0.00 H new ATOM 0 HA2 GLY A 88 77.478 10.370 -15.571 1.00 0.00 H new ATOM 0 HA3 GLY A 88 78.398 9.341 -14.492 1.00 0.00 H new ATOM 1405 N GLY A 89 76.382 8.051 -13.501 1.00 0.00 N ATOM 1406 CA GLY A 89 75.287 7.119 -13.255 1.00 0.00 C ATOM 1407 C GLY A 89 75.761 5.904 -12.462 1.00 0.00 C ATOM 1408 O GLY A 89 74.957 5.213 -11.834 1.00 0.00 O ATOM 0 H GLY A 89 77.210 7.895 -12.927 1.00 0.00 H new ATOM 0 HA2 GLY A 89 74.492 7.625 -12.708 1.00 0.00 H new ATOM 0 HA3 GLY A 89 74.863 6.793 -14.205 1.00 0.00 H new ATOM 1412 N ALA A 90 77.068 5.644 -12.497 1.00 0.00 N ATOM 1413 CA ALA A 90 77.630 4.502 -11.781 1.00 0.00 C ATOM 1414 C ALA A 90 77.416 4.651 -10.275 1.00 0.00 C ATOM 1415 O ALA A 90 76.592 3.951 -9.688 1.00 0.00 O ATOM 1416 CB ALA A 90 79.127 4.384 -12.081 1.00 0.00 C ATOM 0 H ALA A 90 77.751 6.203 -13.009 1.00 0.00 H new ATOM 0 HA ALA A 90 77.121 3.599 -12.118 1.00 0.00 H new ATOM 0 HB1 ALA A 90 79.540 3.530 -11.544 1.00 0.00 H new ATOM 0 HB2 ALA A 90 79.274 4.244 -13.152 1.00 0.00 H new ATOM 0 HB3 ALA A 90 79.635 5.294 -11.761 1.00 0.00 H new ATOM 1422 N ALA A 91 78.155 5.573 -9.662 1.00 0.00 N ATOM 1423 CA ALA A 91 78.034 5.811 -8.225 1.00 0.00 C ATOM 1424 C ALA A 91 77.159 7.033 -7.964 1.00 0.00 C ATOM 1425 O ALA A 91 77.113 7.956 -8.780 1.00 0.00 O ATOM 1426 CB ALA A 91 79.419 6.037 -7.615 1.00 0.00 C ATOM 0 H ALA A 91 78.840 6.164 -10.134 1.00 0.00 H new ATOM 0 HA ALA A 91 77.573 4.937 -7.765 1.00 0.00 H new ATOM 0 HB1 ALA A 91 79.320 6.214 -6.544 1.00 0.00 H new ATOM 0 HB2 ALA A 91 80.038 5.156 -7.782 1.00 0.00 H new ATOM 0 HB3 ALA A 91 79.886 6.903 -8.084 1.00 0.00 H new ATOM 1432 N ASP A 92 76.469 7.037 -6.825 1.00 0.00 N ATOM 1433 CA ASP A 92 75.601 8.161 -6.476 1.00 0.00 C ATOM 1434 C ASP A 92 75.501 8.319 -4.959 1.00 0.00 C ATOM 1435 O ASP A 92 74.427 8.599 -4.423 1.00 0.00 O ATOM 1436 CB ASP A 92 74.198 7.963 -7.072 1.00 0.00 C ATOM 1437 CG ASP A 92 74.290 7.342 -8.466 1.00 0.00 C ATOM 1438 OD1 ASP A 92 74.302 6.125 -8.552 1.00 0.00 O ATOM 1439 OD2 ASP A 92 74.346 8.093 -9.425 1.00 0.00 O ATOM 0 H ASP A 92 76.492 6.285 -6.136 1.00 0.00 H new ATOM 0 HA ASP A 92 76.040 9.067 -6.894 1.00 0.00 H new ATOM 0 HB2 ASP A 92 73.607 7.320 -6.420 1.00 0.00 H new ATOM 0 HB3 ASP A 92 73.682 8.921 -7.128 1.00 0.00 H new ATOM 1444 N GLU A 93 76.633 8.145 -4.276 1.00 0.00 N ATOM 1445 CA GLU A 93 76.678 8.275 -2.821 1.00 0.00 C ATOM 1446 C GLU A 93 75.586 7.430 -2.163 1.00 0.00 C ATOM 1447 O GLU A 93 74.623 7.963 -1.609 1.00 0.00 O ATOM 1448 CB GLU A 93 76.516 9.750 -2.423 1.00 0.00 C ATOM 1449 CG GLU A 93 77.391 10.059 -1.204 1.00 0.00 C ATOM 1450 CD GLU A 93 77.031 9.132 -0.045 1.00 0.00 C ATOM 1451 OE1 GLU A 93 76.014 9.371 0.585 1.00 0.00 O ATOM 1452 OE2 GLU A 93 77.777 8.197 0.195 1.00 0.00 O ATOM 0 H GLU A 93 77.528 7.914 -4.707 1.00 0.00 H new ATOM 0 HA GLU A 93 77.645 7.912 -2.473 1.00 0.00 H new ATOM 0 HB2 GLU A 93 76.797 10.394 -3.256 1.00 0.00 H new ATOM 0 HB3 GLU A 93 75.471 9.962 -2.195 1.00 0.00 H new ATOM 0 HG2 GLU A 93 78.443 9.938 -1.463 1.00 0.00 H new ATOM 0 HG3 GLU A 93 77.254 11.098 -0.904 1.00 0.00 H new ATOM 1459 N GLU A 94 75.757 6.110 -2.224 1.00 0.00 N ATOM 1460 CA GLU A 94 74.804 5.167 -1.636 1.00 0.00 C ATOM 1461 C GLU A 94 75.078 3.767 -2.179 1.00 0.00 C ATOM 1462 O GLU A 94 75.755 2.964 -1.536 1.00 0.00 O ATOM 1463 CB GLU A 94 73.355 5.581 -1.954 1.00 0.00 C ATOM 1464 CG GLU A 94 72.386 4.454 -1.569 1.00 0.00 C ATOM 1465 CD GLU A 94 71.802 3.798 -2.820 1.00 0.00 C ATOM 1466 OE1 GLU A 94 71.309 4.519 -3.673 1.00 0.00 O ATOM 1467 OE2 GLU A 94 71.854 2.582 -2.906 1.00 0.00 O ATOM 0 H GLU A 94 76.554 5.665 -2.679 1.00 0.00 H new ATOM 0 HA GLU A 94 74.928 5.172 -0.553 1.00 0.00 H new ATOM 0 HB2 GLU A 94 73.101 6.491 -1.410 1.00 0.00 H new ATOM 0 HB3 GLU A 94 73.258 5.807 -3.016 1.00 0.00 H new ATOM 0 HG2 GLU A 94 72.907 3.708 -0.970 1.00 0.00 H new ATOM 0 HG3 GLU A 94 71.581 4.854 -0.952 1.00 0.00 H new ATOM 1474 N GLU A 95 74.536 3.481 -3.360 1.00 0.00 N ATOM 1475 CA GLU A 95 74.717 2.173 -3.984 1.00 0.00 C ATOM 1476 C GLU A 95 76.198 1.840 -4.154 1.00 0.00 C ATOM 1477 O GLU A 95 76.584 0.679 -4.072 1.00 0.00 O ATOM 1478 CB GLU A 95 74.020 2.133 -5.352 1.00 0.00 C ATOM 1479 CG GLU A 95 74.478 3.315 -6.214 1.00 0.00 C ATOM 1480 CD GLU A 95 73.457 4.446 -6.136 1.00 0.00 C ATOM 1481 OE1 GLU A 95 72.534 4.443 -6.934 1.00 0.00 O ATOM 1482 OE2 GLU A 95 73.613 5.297 -5.279 1.00 0.00 O ATOM 0 H GLU A 95 73.970 4.134 -3.902 1.00 0.00 H new ATOM 0 HA GLU A 95 74.269 1.428 -3.327 1.00 0.00 H new ATOM 0 HB2 GLU A 95 74.249 1.195 -5.857 1.00 0.00 H new ATOM 0 HB3 GLU A 95 72.939 2.168 -5.219 1.00 0.00 H new ATOM 0 HG2 GLU A 95 75.451 3.669 -5.873 1.00 0.00 H new ATOM 0 HG3 GLU A 95 74.600 2.995 -7.249 1.00 0.00 H new ATOM 1489 N LEU A 96 77.014 2.863 -4.416 1.00 0.00 N ATOM 1490 CA LEU A 96 78.454 2.686 -4.631 1.00 0.00 C ATOM 1491 C LEU A 96 79.062 1.569 -3.774 1.00 0.00 C ATOM 1492 O LEU A 96 80.012 0.914 -4.202 1.00 0.00 O ATOM 1493 CB LEU A 96 79.174 4.021 -4.373 1.00 0.00 C ATOM 1494 CG LEU A 96 79.542 4.178 -2.889 1.00 0.00 C ATOM 1495 CD1 LEU A 96 80.338 5.470 -2.707 1.00 0.00 C ATOM 1496 CD2 LEU A 96 78.270 4.254 -2.036 1.00 0.00 C ATOM 0 H LEU A 96 76.700 3.831 -4.485 1.00 0.00 H new ATOM 0 HA LEU A 96 78.593 2.377 -5.667 1.00 0.00 H new ATOM 0 HB2 LEU A 96 80.077 4.073 -4.981 1.00 0.00 H new ATOM 0 HB3 LEU A 96 78.534 4.848 -4.681 1.00 0.00 H new ATOM 0 HG LEU A 96 80.136 3.320 -2.575 1.00 0.00 H new ATOM 0 HD11 LEU A 96 80.603 5.589 -1.656 1.00 0.00 H new ATOM 0 HD12 LEU A 96 81.246 5.425 -3.308 1.00 0.00 H new ATOM 0 HD13 LEU A 96 79.733 6.318 -3.027 1.00 0.00 H new ATOM 0 HD21 LEU A 96 78.542 4.365 -0.986 1.00 0.00 H new ATOM 0 HD22 LEU A 96 77.673 5.111 -2.349 1.00 0.00 H new ATOM 0 HD23 LEU A 96 77.690 3.340 -2.166 1.00 0.00 H new ATOM 1508 N ILE A 97 78.519 1.342 -2.579 1.00 0.00 N ATOM 1509 CA ILE A 97 79.044 0.283 -1.714 1.00 0.00 C ATOM 1510 C ILE A 97 78.622 -1.084 -2.253 1.00 0.00 C ATOM 1511 O ILE A 97 79.469 -1.910 -2.603 1.00 0.00 O ATOM 1512 CB ILE A 97 78.554 0.477 -0.268 1.00 0.00 C ATOM 1513 CG1 ILE A 97 79.587 1.310 0.502 1.00 0.00 C ATOM 1514 CG2 ILE A 97 78.387 -0.880 0.429 1.00 0.00 C ATOM 1515 CD1 ILE A 97 78.883 2.157 1.565 1.00 0.00 C ATOM 0 H ILE A 97 77.732 1.864 -2.192 1.00 0.00 H new ATOM 0 HA ILE A 97 80.133 0.335 -1.710 1.00 0.00 H new ATOM 0 HB ILE A 97 77.591 0.987 -0.286 1.00 0.00 H new ATOM 0 HG12 ILE A 97 80.319 0.654 0.973 1.00 0.00 H new ATOM 0 HG13 ILE A 97 80.134 1.955 -0.186 1.00 0.00 H new ATOM 0 HG21 ILE A 97 78.040 -0.724 1.450 1.00 0.00 H new ATOM 0 HG22 ILE A 97 77.658 -1.481 -0.114 1.00 0.00 H new ATOM 0 HG23 ILE A 97 79.345 -1.400 0.447 1.00 0.00 H new ATOM 0 HD11 ILE A 97 79.622 2.746 2.109 1.00 0.00 H new ATOM 0 HD12 ILE A 97 78.169 2.825 1.084 1.00 0.00 H new ATOM 0 HD13 ILE A 97 78.357 1.504 2.261 1.00 0.00 H new ATOM 1527 N ARG A 98 77.313 -1.307 -2.344 1.00 0.00 N ATOM 1528 CA ARG A 98 76.802 -2.571 -2.870 1.00 0.00 C ATOM 1529 C ARG A 98 77.180 -2.702 -4.340 1.00 0.00 C ATOM 1530 O ARG A 98 77.360 -3.805 -4.856 1.00 0.00 O ATOM 1531 CB ARG A 98 75.279 -2.639 -2.713 1.00 0.00 C ATOM 1532 CG ARG A 98 74.629 -1.424 -3.385 1.00 0.00 C ATOM 1533 CD ARG A 98 73.107 -1.585 -3.373 1.00 0.00 C ATOM 1534 NE ARG A 98 72.551 -1.028 -2.145 1.00 0.00 N ATOM 1535 CZ ARG A 98 71.244 -1.065 -1.904 1.00 0.00 C ATOM 1536 NH1 ARG A 98 70.437 -0.271 -2.554 1.00 0.00 N ATOM 1537 NH2 ARG A 98 70.767 -1.895 -1.017 1.00 0.00 N ATOM 0 H ARG A 98 76.595 -0.639 -2.065 1.00 0.00 H new ATOM 0 HA ARG A 98 77.245 -3.393 -2.308 1.00 0.00 H new ATOM 0 HB2 ARG A 98 74.900 -3.558 -3.159 1.00 0.00 H new ATOM 0 HB3 ARG A 98 75.015 -2.665 -1.656 1.00 0.00 H new ATOM 0 HG2 ARG A 98 74.913 -0.511 -2.861 1.00 0.00 H new ATOM 0 HG3 ARG A 98 74.987 -1.328 -4.410 1.00 0.00 H new ATOM 0 HD2 ARG A 98 72.674 -1.082 -4.238 1.00 0.00 H new ATOM 0 HD3 ARG A 98 72.845 -2.640 -3.454 1.00 0.00 H new ATOM 0 HE ARG A 98 73.175 -0.603 -1.460 1.00 0.00 H new ATOM 0 HH11 ARG A 98 70.809 0.378 -3.247 1.00 0.00 H new ATOM 0 HH12 ARG A 98 69.434 -0.300 -2.369 1.00 0.00 H new ATOM 0 HH21 ARG A 98 71.397 -2.515 -0.508 1.00 0.00 H new ATOM 0 HH22 ARG A 98 69.764 -1.923 -0.832 1.00 0.00 H new ATOM 1551 N LYS A 99 77.311 -1.554 -5.000 1.00 0.00 N ATOM 1552 CA LYS A 99 77.682 -1.511 -6.402 1.00 0.00 C ATOM 1553 C LYS A 99 79.139 -1.919 -6.568 1.00 0.00 C ATOM 1554 O LYS A 99 79.492 -2.627 -7.511 1.00 0.00 O ATOM 1555 CB LYS A 99 77.488 -0.092 -6.937 1.00 0.00 C ATOM 1556 CG LYS A 99 77.465 -0.126 -8.461 1.00 0.00 C ATOM 1557 CD LYS A 99 77.536 1.298 -9.020 1.00 0.00 C ATOM 1558 CE LYS A 99 78.894 1.924 -8.696 1.00 0.00 C ATOM 1559 NZ LYS A 99 79.975 0.955 -9.023 1.00 0.00 N ATOM 0 H LYS A 99 77.163 -0.637 -4.578 1.00 0.00 H new ATOM 0 HA LYS A 99 77.051 -2.203 -6.959 1.00 0.00 H new ATOM 0 HB2 LYS A 99 76.557 0.328 -6.557 1.00 0.00 H new ATOM 0 HB3 LYS A 99 78.294 0.554 -6.588 1.00 0.00 H new ATOM 0 HG2 LYS A 99 78.305 -0.713 -8.832 1.00 0.00 H new ATOM 0 HG3 LYS A 99 76.555 -0.616 -8.808 1.00 0.00 H new ATOM 0 HD2 LYS A 99 77.383 1.281 -10.099 1.00 0.00 H new ATOM 0 HD3 LYS A 99 76.737 1.904 -8.594 1.00 0.00 H new ATOM 0 HE2 LYS A 99 79.029 2.843 -9.267 1.00 0.00 H new ATOM 0 HE3 LYS A 99 78.940 2.195 -7.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 80.861 1.470 -9.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 80.107 0.300 -8.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 79.713 0.416 -9.873 1.00 0.00 H new ATOM 1573 N ALA A 100 79.972 -1.488 -5.625 1.00 0.00 N ATOM 1574 CA ALA A 100 81.390 -1.825 -5.655 1.00 0.00 C ATOM 1575 C ALA A 100 81.576 -3.289 -5.280 1.00 0.00 C ATOM 1576 O ALA A 100 82.617 -3.886 -5.551 1.00 0.00 O ATOM 1577 CB ALA A 100 82.157 -0.944 -4.667 1.00 0.00 C ATOM 0 H ALA A 100 79.691 -0.908 -4.835 1.00 0.00 H new ATOM 0 HA ALA A 100 81.775 -1.655 -6.661 1.00 0.00 H new ATOM 0 HB1 ALA A 100 83.216 -1.202 -4.695 1.00 0.00 H new ATOM 0 HB2 ALA A 100 82.031 0.104 -4.940 1.00 0.00 H new ATOM 0 HB3 ALA A 100 81.771 -1.105 -3.660 1.00 0.00 H new ATOM 1583 N ILE A 101 80.546 -3.851 -4.654 1.00 0.00 N ATOM 1584 CA ILE A 101 80.571 -5.244 -4.231 1.00 0.00 C ATOM 1585 C ILE A 101 80.041 -6.162 -5.332 1.00 0.00 C ATOM 1586 O ILE A 101 80.467 -7.310 -5.449 1.00 0.00 O ATOM 1587 CB ILE A 101 79.711 -5.410 -2.972 1.00 0.00 C ATOM 1588 CG1 ILE A 101 80.480 -4.877 -1.755 1.00 0.00 C ATOM 1589 CG2 ILE A 101 79.375 -6.893 -2.766 1.00 0.00 C ATOM 1590 CD1 ILE A 101 79.503 -4.559 -0.619 1.00 0.00 C ATOM 0 H ILE A 101 79.681 -3.359 -4.429 1.00 0.00 H new ATOM 0 HA ILE A 101 81.604 -5.521 -4.019 1.00 0.00 H new ATOM 0 HB ILE A 101 78.784 -4.848 -3.089 1.00 0.00 H new ATOM 0 HG12 ILE A 101 81.209 -5.616 -1.423 1.00 0.00 H new ATOM 0 HG13 ILE A 101 81.036 -3.981 -2.029 1.00 0.00 H new ATOM 0 HG21 ILE A 101 78.764 -7.007 -1.871 1.00 0.00 H new ATOM 0 HG22 ILE A 101 78.825 -7.265 -3.630 1.00 0.00 H new ATOM 0 HG23 ILE A 101 80.297 -7.462 -2.651 1.00 0.00 H new ATOM 0 HD11 ILE A 101 80.056 -4.181 0.241 1.00 0.00 H new ATOM 0 HD12 ILE A 101 78.791 -3.804 -0.952 1.00 0.00 H new ATOM 0 HD13 ILE A 101 78.966 -5.465 -0.336 1.00 0.00 H new ATOM 1602 N GLU A 102 79.076 -5.667 -6.104 1.00 0.00 N ATOM 1603 CA GLU A 102 78.457 -6.470 -7.153 1.00 0.00 C ATOM 1604 C GLU A 102 79.143 -6.332 -8.515 1.00 0.00 C ATOM 1605 O GLU A 102 78.840 -7.103 -9.427 1.00 0.00 O ATOM 1606 CB GLU A 102 76.983 -6.075 -7.291 1.00 0.00 C ATOM 1607 CG GLU A 102 76.134 -7.337 -7.451 1.00 0.00 C ATOM 1608 CD GLU A 102 75.910 -7.994 -6.091 1.00 0.00 C ATOM 1609 OE1 GLU A 102 75.086 -7.496 -5.342 1.00 0.00 O ATOM 1610 OE2 GLU A 102 76.566 -8.986 -5.819 1.00 0.00 O ATOM 0 H GLU A 102 78.708 -4.719 -6.023 1.00 0.00 H new ATOM 0 HA GLU A 102 78.561 -7.512 -6.851 1.00 0.00 H new ATOM 0 HB2 GLU A 102 76.661 -5.515 -6.413 1.00 0.00 H new ATOM 0 HB3 GLU A 102 76.849 -5.421 -8.153 1.00 0.00 H new ATOM 0 HG2 GLU A 102 75.175 -7.085 -7.904 1.00 0.00 H new ATOM 0 HG3 GLU A 102 76.631 -8.036 -8.124 1.00 0.00 H new ATOM 1617 N LEU A 103 80.039 -5.357 -8.680 1.00 0.00 N ATOM 1618 CA LEU A 103 80.692 -5.192 -9.983 1.00 0.00 C ATOM 1619 C LEU A 103 82.058 -5.895 -10.057 1.00 0.00 C ATOM 1620 O LEU A 103 82.209 -6.857 -10.811 1.00 0.00 O ATOM 1621 CB LEU A 103 80.789 -3.703 -10.386 1.00 0.00 C ATOM 1622 CG LEU A 103 81.776 -2.921 -9.508 1.00 0.00 C ATOM 1623 CD1 LEU A 103 83.148 -2.872 -10.189 1.00 0.00 C ATOM 1624 CD2 LEU A 103 81.268 -1.487 -9.340 1.00 0.00 C ATOM 0 H LEU A 103 80.322 -4.693 -7.960 1.00 0.00 H new ATOM 0 HA LEU A 103 80.054 -5.689 -10.714 1.00 0.00 H new ATOM 0 HB2 LEU A 103 81.099 -3.631 -11.429 1.00 0.00 H new ATOM 0 HB3 LEU A 103 79.802 -3.245 -10.315 1.00 0.00 H new ATOM 0 HG LEU A 103 81.861 -3.412 -8.539 1.00 0.00 H new ATOM 0 HD11 LEU A 103 83.846 -2.316 -9.563 1.00 0.00 H new ATOM 0 HD12 LEU A 103 83.519 -3.887 -10.333 1.00 0.00 H new ATOM 0 HD13 LEU A 103 83.057 -2.378 -11.156 1.00 0.00 H new ATOM 0 HD21 LEU A 103 81.964 -0.925 -8.717 1.00 0.00 H new ATOM 0 HD22 LEU A 103 81.191 -1.012 -10.318 1.00 0.00 H new ATOM 0 HD23 LEU A 103 80.287 -1.502 -8.865 1.00 0.00 H new ATOM 1636 N SER A 104 83.051 -5.416 -9.309 1.00 0.00 N ATOM 1637 CA SER A 104 84.386 -6.023 -9.354 1.00 0.00 C ATOM 1638 C SER A 104 84.624 -6.985 -8.196 1.00 0.00 C ATOM 1639 O SER A 104 85.570 -7.774 -8.228 1.00 0.00 O ATOM 1640 CB SER A 104 85.457 -4.933 -9.321 1.00 0.00 C ATOM 1641 OG SER A 104 85.608 -4.380 -10.622 1.00 0.00 O ATOM 0 H SER A 104 82.963 -4.623 -8.674 1.00 0.00 H new ATOM 0 HA SER A 104 84.447 -6.590 -10.283 1.00 0.00 H new ATOM 0 HB2 SER A 104 85.176 -4.153 -8.613 1.00 0.00 H new ATOM 0 HB3 SER A 104 86.404 -5.349 -8.978 1.00 0.00 H new ATOM 0 HG SER A 104 86.293 -3.680 -10.602 1.00 0.00 H new ATOM 1647 N LEU A 105 83.786 -6.912 -7.168 1.00 0.00 N ATOM 1648 CA LEU A 105 83.957 -7.780 -6.009 1.00 0.00 C ATOM 1649 C LEU A 105 83.122 -9.052 -6.132 1.00 0.00 C ATOM 1650 O LEU A 105 83.540 -10.113 -5.666 1.00 0.00 O ATOM 1651 CB LEU A 105 83.578 -7.020 -4.734 1.00 0.00 C ATOM 1652 CG LEU A 105 84.833 -6.724 -3.899 1.00 0.00 C ATOM 1653 CD1 LEU A 105 85.667 -7.998 -3.728 1.00 0.00 C ATOM 1654 CD2 LEU A 105 85.674 -5.653 -4.601 1.00 0.00 C ATOM 0 H LEU A 105 82.994 -6.272 -7.113 1.00 0.00 H new ATOM 0 HA LEU A 105 85.005 -8.077 -5.959 1.00 0.00 H new ATOM 0 HB2 LEU A 105 83.077 -6.087 -4.993 1.00 0.00 H new ATOM 0 HB3 LEU A 105 82.873 -7.609 -4.147 1.00 0.00 H new ATOM 0 HG LEU A 105 84.528 -6.365 -2.916 1.00 0.00 H new ATOM 0 HD11 LEU A 105 86.554 -7.775 -3.135 1.00 0.00 H new ATOM 0 HD12 LEU A 105 85.072 -8.757 -3.220 1.00 0.00 H new ATOM 0 HD13 LEU A 105 85.970 -8.369 -4.707 1.00 0.00 H new ATOM 0 HD21 LEU A 105 86.564 -5.443 -4.008 1.00 0.00 H new ATOM 0 HD22 LEU A 105 85.970 -6.011 -5.587 1.00 0.00 H new ATOM 0 HD23 LEU A 105 85.086 -4.741 -4.708 1.00 0.00 H new ATOM 1666 N LYS A 106 81.937 -8.934 -6.735 1.00 0.00 N ATOM 1667 CA LYS A 106 81.029 -10.075 -6.900 1.00 0.00 C ATOM 1668 C LYS A 106 81.789 -11.385 -7.115 1.00 0.00 C ATOM 1669 O LYS A 106 81.356 -12.440 -6.653 1.00 0.00 O ATOM 1670 CB LYS A 106 80.096 -9.831 -8.093 1.00 0.00 C ATOM 1671 CG LYS A 106 80.909 -9.368 -9.309 1.00 0.00 C ATOM 1672 CD LYS A 106 81.374 -10.582 -10.127 1.00 0.00 C ATOM 1673 CE LYS A 106 80.868 -10.460 -11.568 1.00 0.00 C ATOM 1674 NZ LYS A 106 81.552 -11.474 -12.420 1.00 0.00 N ATOM 0 H LYS A 106 81.582 -8.058 -7.119 1.00 0.00 H new ATOM 0 HA LYS A 106 80.450 -10.166 -5.981 1.00 0.00 H new ATOM 0 HB2 LYS A 106 79.554 -10.745 -8.334 1.00 0.00 H new ATOM 0 HB3 LYS A 106 79.351 -9.078 -7.835 1.00 0.00 H new ATOM 0 HG2 LYS A 106 80.303 -8.710 -9.932 1.00 0.00 H new ATOM 0 HG3 LYS A 106 81.772 -8.789 -8.980 1.00 0.00 H new ATOM 0 HD2 LYS A 106 82.462 -10.643 -10.118 1.00 0.00 H new ATOM 0 HD3 LYS A 106 80.999 -11.501 -9.677 1.00 0.00 H new ATOM 0 HE2 LYS A 106 79.789 -10.610 -11.600 1.00 0.00 H new ATOM 0 HE3 LYS A 106 81.062 -9.458 -11.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 81.210 -11.393 -13.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 82.579 -11.311 -12.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 81.345 -12.427 -12.059 1.00 0.00 H new ATOM 1688 N GLU A 107 82.918 -11.310 -7.817 1.00 0.00 N ATOM 1689 CA GLU A 107 83.727 -12.498 -8.085 1.00 0.00 C ATOM 1690 C GLU A 107 83.894 -13.340 -6.820 1.00 0.00 C ATOM 1691 O GLU A 107 83.759 -14.562 -6.856 1.00 0.00 O ATOM 1692 CB GLU A 107 85.104 -12.080 -8.616 1.00 0.00 C ATOM 1693 CG GLU A 107 85.950 -13.324 -8.920 1.00 0.00 C ATOM 1694 CD GLU A 107 85.148 -14.329 -9.744 1.00 0.00 C ATOM 1695 OE1 GLU A 107 84.859 -14.030 -10.892 1.00 0.00 O ATOM 1696 OE2 GLU A 107 84.833 -15.385 -9.217 1.00 0.00 O ATOM 0 H GLU A 107 83.292 -10.445 -8.208 1.00 0.00 H new ATOM 0 HA GLU A 107 83.215 -13.101 -8.835 1.00 0.00 H new ATOM 0 HB2 GLU A 107 84.988 -11.480 -9.518 1.00 0.00 H new ATOM 0 HB3 GLU A 107 85.612 -11.456 -7.881 1.00 0.00 H new ATOM 0 HG2 GLU A 107 86.850 -13.035 -9.463 1.00 0.00 H new ATOM 0 HG3 GLU A 107 86.275 -13.786 -7.988 1.00 0.00 H new ATOM 1703 N SER A 108 84.183 -12.675 -5.703 1.00 0.00 N ATOM 1704 CA SER A 108 84.362 -13.370 -4.431 1.00 0.00 C ATOM 1705 C SER A 108 83.087 -14.115 -4.041 1.00 0.00 C ATOM 1706 O SER A 108 83.137 -15.278 -3.639 1.00 0.00 O ATOM 1707 CB SER A 108 84.728 -12.368 -3.334 1.00 0.00 C ATOM 1708 OG SER A 108 83.695 -11.397 -3.219 1.00 0.00 O ATOM 0 H SER A 108 84.297 -11.663 -5.653 1.00 0.00 H new ATOM 0 HA SER A 108 85.170 -14.093 -4.545 1.00 0.00 H new ATOM 0 HB2 SER A 108 84.864 -12.885 -2.384 1.00 0.00 H new ATOM 0 HB3 SER A 108 85.675 -11.882 -3.571 1.00 0.00 H new ATOM 0 HG SER A 108 83.668 -10.850 -4.032 1.00 0.00 H new ATOM 1714 N ARG A 109 81.948 -13.437 -4.169 1.00 0.00 N ATOM 1715 CA ARG A 109 80.662 -14.041 -3.835 1.00 0.00 C ATOM 1716 C ARG A 109 80.413 -15.270 -4.703 1.00 0.00 C ATOM 1717 O ARG A 109 80.004 -16.321 -4.207 1.00 0.00 O ATOM 1718 CB ARG A 109 79.536 -13.022 -4.044 1.00 0.00 C ATOM 1719 CG ARG A 109 78.246 -13.528 -3.385 1.00 0.00 C ATOM 1720 CD ARG A 109 78.141 -12.973 -1.962 1.00 0.00 C ATOM 1721 NE ARG A 109 76.823 -13.263 -1.403 1.00 0.00 N ATOM 1722 CZ ARG A 109 75.878 -12.327 -1.342 1.00 0.00 C ATOM 1723 NH1 ARG A 109 75.547 -11.660 -2.414 1.00 0.00 N ATOM 1724 NH2 ARG A 109 75.281 -12.078 -0.209 1.00 0.00 N ATOM 0 H ARG A 109 81.890 -12.474 -4.500 1.00 0.00 H new ATOM 0 HA ARG A 109 80.681 -14.346 -2.789 1.00 0.00 H new ATOM 0 HB2 ARG A 109 79.820 -12.060 -3.617 1.00 0.00 H new ATOM 0 HB3 ARG A 109 79.372 -12.862 -5.110 1.00 0.00 H new ATOM 0 HG2 ARG A 109 77.381 -13.218 -3.971 1.00 0.00 H new ATOM 0 HG3 ARG A 109 78.241 -14.618 -3.362 1.00 0.00 H new ATOM 0 HD2 ARG A 109 78.915 -13.414 -1.334 1.00 0.00 H new ATOM 0 HD3 ARG A 109 78.312 -11.896 -1.970 1.00 0.00 H new ATOM 0 HE ARG A 109 76.623 -14.200 -1.053 1.00 0.00 H new ATOM 0 HH11 ARG A 109 76.012 -11.855 -3.300 1.00 0.00 H new ATOM 0 HH12 ARG A 109 74.823 -10.943 -2.365 1.00 0.00 H new ATOM 0 HH21 ARG A 109 75.538 -12.600 0.629 1.00 0.00 H new ATOM 0 HH22 ARG A 109 74.557 -11.361 -0.161 1.00 0.00 H new ATOM 1738 N ASN A 110 80.669 -15.127 -6.001 1.00 0.00 N ATOM 1739 CA ASN A 110 80.476 -16.228 -6.939 1.00 0.00 C ATOM 1740 C ASN A 110 81.421 -17.380 -6.606 1.00 0.00 C ATOM 1741 O ASN A 110 81.042 -18.549 -6.693 1.00 0.00 O ATOM 1742 CB ASN A 110 80.731 -15.745 -8.370 1.00 0.00 C ATOM 1743 CG ASN A 110 79.634 -14.773 -8.795 1.00 0.00 C ATOM 1744 OD1 ASN A 110 78.806 -15.102 -9.645 1.00 0.00 O ATOM 1745 ND2 ASN A 110 79.578 -13.588 -8.252 1.00 0.00 N ATOM 0 H ASN A 110 81.009 -14.264 -6.425 1.00 0.00 H new ATOM 0 HA ASN A 110 79.448 -16.581 -6.857 1.00 0.00 H new ATOM 0 HB2 ASN A 110 81.704 -15.257 -8.430 1.00 0.00 H new ATOM 0 HB3 ASN A 110 80.758 -16.596 -9.051 1.00 0.00 H new ATOM 0 HD21 ASN A 110 78.848 -12.933 -8.531 1.00 0.00 H new ATOM 0 HD22 ASN A 110 80.264 -13.317 -7.548 1.00 0.00 H new ATOM 1752 N SER A 111 82.648 -17.040 -6.217 1.00 0.00 N ATOM 1753 CA SER A 111 83.641 -18.052 -5.863 1.00 0.00 C ATOM 1754 C SER A 111 83.223 -18.784 -4.591 1.00 0.00 C ATOM 1755 O SER A 111 83.615 -19.930 -4.364 1.00 0.00 O ATOM 1756 CB SER A 111 85.006 -17.397 -5.650 1.00 0.00 C ATOM 1757 OG SER A 111 85.412 -16.752 -6.849 1.00 0.00 O ATOM 0 H SER A 111 82.977 -16.078 -6.139 1.00 0.00 H new ATOM 0 HA SER A 111 83.709 -18.770 -6.681 1.00 0.00 H new ATOM 0 HB2 SER A 111 84.952 -16.674 -4.836 1.00 0.00 H new ATOM 0 HB3 SER A 111 85.741 -18.148 -5.361 1.00 0.00 H new ATOM 0 HG SER A 111 84.813 -15.999 -7.034 1.00 0.00 H new ATOM 1763 N GLY A 112 82.424 -18.111 -3.766 1.00 0.00 N ATOM 1764 CA GLY A 112 81.950 -18.698 -2.517 1.00 0.00 C ATOM 1765 C GLY A 112 80.818 -19.691 -2.771 1.00 0.00 C ATOM 1766 O GLY A 112 80.386 -20.397 -1.859 1.00 0.00 O ATOM 0 H GLY A 112 82.093 -17.162 -3.940 1.00 0.00 H new ATOM 0 HA2 GLY A 112 82.774 -19.203 -2.013 1.00 0.00 H new ATOM 0 HA3 GLY A 112 81.603 -17.909 -1.849 1.00 0.00 H new ATOM 1770 N GLY A 113 80.343 -19.739 -4.014 1.00 0.00 N ATOM 1771 CA GLY A 113 79.261 -20.649 -4.380 1.00 0.00 C ATOM 1772 C GLY A 113 79.715 -22.102 -4.285 1.00 0.00 C ATOM 1773 O GLY A 113 78.936 -22.983 -3.920 1.00 0.00 O ATOM 0 H GLY A 113 80.688 -19.162 -4.781 1.00 0.00 H new ATOM 0 HA2 GLY A 113 78.407 -20.487 -3.723 1.00 0.00 H new ATOM 0 HA3 GLY A 113 78.927 -20.434 -5.395 1.00 0.00 H new ATOM 1777 N TYR A 114 80.983 -22.340 -4.614 1.00 0.00 N ATOM 1778 CA TYR A 114 81.543 -23.688 -4.564 1.00 0.00 C ATOM 1779 C TYR A 114 82.994 -23.641 -4.090 1.00 0.00 C ATOM 1780 O TYR A 114 83.276 -24.218 -3.052 1.00 0.00 O ATOM 1781 CB TYR A 114 81.475 -24.339 -5.950 1.00 0.00 C ATOM 1782 CG TYR A 114 80.029 -24.507 -6.361 1.00 0.00 C ATOM 1783 CD1 TYR A 114 79.258 -25.540 -5.812 1.00 0.00 C ATOM 1784 CD2 TYR A 114 79.460 -23.629 -7.291 1.00 0.00 C ATOM 1785 CE1 TYR A 114 77.920 -25.694 -6.192 1.00 0.00 C ATOM 1786 CE2 TYR A 114 78.122 -23.783 -7.672 1.00 0.00 C ATOM 1787 CZ TYR A 114 77.352 -24.814 -7.123 1.00 0.00 C ATOM 1788 OH TYR A 114 76.032 -24.963 -7.498 1.00 0.00 O ATOM 1789 OXT TYR A 114 83.802 -23.027 -4.769 1.00 0.00 O ATOM 0 H TYR A 114 81.639 -21.620 -4.917 1.00 0.00 H new ATOM 0 HA TYR A 114 80.958 -24.280 -3.861 1.00 0.00 H new ATOM 0 HB2 TYR A 114 82.001 -23.723 -6.679 1.00 0.00 H new ATOM 0 HB3 TYR A 114 81.974 -25.308 -5.933 1.00 0.00 H new ATOM 0 HD1 TYR A 114 79.697 -26.218 -5.095 1.00 0.00 H new ATOM 0 HD2 TYR A 114 80.054 -22.832 -7.715 1.00 0.00 H new ATOM 0 HE1 TYR A 114 77.326 -26.490 -5.768 1.00 0.00 H new ATOM 0 HE2 TYR A 114 77.684 -23.106 -8.390 1.00 0.00 H new ATOM 0 HH TYR A 114 75.797 -24.270 -8.150 1.00 0.00 H new TER 1799 TYR A 114