USER MOD reduce.3.24.130724 H: found=0, std=0, add=880, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 881 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 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 102 LYS NZ :NH3+ -119:sc= -0.307 (180deg=-2.67!) USER MOD Set 2.1: A 42 TYR OH : rot 80:sc= -1.63 USER MOD Set 2.2: A 46 GLN : amide:sc= -0.0507 K(o=-7.6,f=-9) USER MOD Set 2.3: A 90 MET CE :methyl -169:sc= -5.93! (180deg=-5!) USER MOD Set 3.1: A 61 SER OG : rot 180:sc= -0.44 USER MOD Set 3.2: A 65 GLN : amide:sc= 0.0848 K(o=-0.36,f=-0.87) USER MOD Set 4.1: A 47 LYS NZ :NH3+ -137:sc= -0.468 (180deg=0) USER MOD Set 4.2: A 59 GLN : amide:sc= -6.26! C(o=-6.7!,f=-2.9!) USER MOD Set 5.1: A 18 CYS SG : rot -39:sc= -2.21 USER MOD Set 5.2: A 23 MET CE :methyl -176:sc= -14.8! (180deg=-13.3!) USER MOD Set 6.1: A 13 SER OG : rot 175:sc= 1.83 USER MOD Set 6.2: A 86 TYR OH : rot 30:sc= 0.794 USER MOD Single : A 3 ASN : amide:sc= -0.0819 X(o=-0.082,f=-0.4) USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 LYS NZ :NH3+ -114:sc= 1.22 (180deg=-1.02) USER MOD Single : A 6 GLN : amide:sc= -0.39 K(o=-0.39,f=-1.5) USER MOD Single : A 7 TYR OH : rot 132:sc= 1.14 USER MOD Single : A 11 MET CE :methyl -114:sc= -3.21! (180deg=-7.78!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -6.03! C(o=-6!,f=-7.9!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.758 X(o=-0.76,f=-0.76) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= -0.0678 USER MOD Single : A 33 ASN : amide:sc= -0.0368 K(o=-0.037,f=-1) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -1.36 K(o=-1.4,f=-2.7!) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl 148:sc= -12.5! (180deg=-14.9!) USER MOD Single : A 53 GLN : amide:sc= -0.11 K(o=-0.11,f=-1.3) USER MOD Single : A 55 THR OG1 : rot 180:sc= -1.69 USER MOD Single : A 57 THR OG1 : rot 110:sc= 0.457 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 MET CE :methyl -144:sc= -8.62! (180deg=-12.3!) USER MOD Single : A 68 GLN : amide:sc=-0.000544 X(o=-0.00054,f=0) USER MOD Single : A 70 SER OG : rot -53:sc=0.000324 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -1.54 K(o=-1.5,f=-0.00023) USER MOD Single : A 74 GLN : amide:sc= -0.117 K(o=-0.12,f=-1.3) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot -77:sc= 1.22 USER MOD Single : A 89 HIS : no HD1:sc= -0.0076 X(o=-0.0076,f=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= -1.01 K(o=-1,f=-3.2!) USER MOD Single : A 99 THR OG1 : rot -82:sc= 0.392 USER MOD Single : A 100 GLN : amide:sc=-0.00777 K(o=-0.0078,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 3 2.809 2.048 18.004 1.00 0.00 N ATOM 2 CA ASN A 3 2.813 2.884 16.809 1.00 0.00 C ATOM 3 C ASN A 3 3.777 2.336 15.762 1.00 0.00 C ATOM 4 O ASN A 3 3.509 2.402 14.562 1.00 0.00 O ATOM 5 CB ASN A 3 3.195 4.321 17.169 1.00 0.00 C ATOM 6 CG ASN A 3 4.497 4.396 17.942 1.00 0.00 C ATOM 7 OD1 ASN A 3 5.580 4.406 17.357 1.00 0.00 O ATOM 8 ND2 ASN A 3 4.398 4.450 19.266 1.00 0.00 N ATOM 0 HA ASN A 3 1.808 2.876 16.388 1.00 0.00 H new ATOM 0 HB2 ASN A 3 3.283 4.910 16.256 1.00 0.00 H new ATOM 0 HB3 ASN A 3 2.397 4.769 17.762 1.00 0.00 H new ATOM 0 HD21 ASN A 3 5.240 4.502 19.839 1.00 0.00 H new ATOM 0 HD22 ASN A 3 3.480 4.439 19.710 1.00 0.00 H new ATOM 15 N ASN A 4 4.900 1.794 16.224 1.00 0.00 N ATOM 16 CA ASN A 4 5.905 1.233 15.326 1.00 0.00 C ATOM 17 C ASN A 4 5.651 -0.249 15.062 1.00 0.00 C ATOM 18 O ASN A 4 6.488 -0.932 14.474 1.00 0.00 O ATOM 19 CB ASN A 4 7.301 1.423 15.916 1.00 0.00 C ATOM 20 CG ASN A 4 8.300 1.924 14.890 1.00 0.00 C ATOM 21 OD1 ASN A 4 8.272 3.091 14.499 1.00 0.00 O ATOM 22 ND2 ASN A 4 9.189 1.042 14.449 1.00 0.00 N ATOM 0 H ASN A 4 5.137 1.731 17.214 1.00 0.00 H new ATOM 0 HA ASN A 4 5.837 1.763 14.376 1.00 0.00 H new ATOM 0 HB2 ASN A 4 7.249 2.130 16.744 1.00 0.00 H new ATOM 0 HB3 ASN A 4 7.651 0.476 16.327 1.00 0.00 H new ATOM 0 HD21 ASN A 4 9.886 1.322 13.758 1.00 0.00 H new ATOM 0 HD22 ASN A 4 9.175 0.085 14.801 1.00 0.00 H new ATOM 29 N LYS A 5 4.493 -0.735 15.494 1.00 0.00 N ATOM 30 CA LYS A 5 4.123 -2.132 15.296 1.00 0.00 C ATOM 31 C LYS A 5 3.198 -2.279 14.090 1.00 0.00 C ATOM 32 O LYS A 5 3.035 -3.374 13.547 1.00 0.00 O ATOM 33 CB LYS A 5 3.431 -2.675 16.546 1.00 0.00 C ATOM 34 CG LYS A 5 4.389 -3.001 17.681 1.00 0.00 C ATOM 35 CD LYS A 5 4.410 -4.490 17.985 1.00 0.00 C ATOM 36 CE LYS A 5 5.549 -5.190 17.261 1.00 0.00 C ATOM 37 NZ LYS A 5 5.951 -6.450 17.945 1.00 0.00 N ATOM 0 H LYS A 5 3.792 -0.180 15.985 1.00 0.00 H new ATOM 0 HA LYS A 5 5.032 -2.704 15.111 1.00 0.00 H new ATOM 0 HB2 LYS A 5 2.704 -1.942 16.895 1.00 0.00 H new ATOM 0 HB3 LYS A 5 2.875 -3.575 16.281 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.393 -2.669 17.417 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.096 -2.451 18.575 1.00 0.00 H new ATOM 0 HD2 LYS A 5 4.513 -4.642 19.060 1.00 0.00 H new ATOM 0 HD3 LYS A 5 3.461 -4.936 17.689 1.00 0.00 H new ATOM 0 HE2 LYS A 5 5.246 -5.413 16.238 1.00 0.00 H new ATOM 0 HE3 LYS A 5 6.407 -4.520 17.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 6.917 -6.350 18.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 5.295 -6.644 18.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 5.922 -7.238 17.267 1.00 0.00 H new ATOM 51 N GLN A 6 2.590 -1.166 13.683 1.00 0.00 N ATOM 52 CA GLN A 6 1.672 -1.148 12.546 1.00 0.00 C ATOM 53 C GLN A 6 2.182 -2.009 11.393 1.00 0.00 C ATOM 54 O GLN A 6 1.396 -2.636 10.684 1.00 0.00 O ATOM 55 CB GLN A 6 1.458 0.289 12.065 1.00 0.00 C ATOM 56 CG GLN A 6 0.695 1.154 13.055 1.00 0.00 C ATOM 57 CD GLN A 6 -0.744 0.711 13.227 1.00 0.00 C ATOM 58 OE1 GLN A 6 -1.080 0.010 14.182 1.00 0.00 O ATOM 59 NE2 GLN A 6 -1.604 1.119 12.300 1.00 0.00 N ATOM 0 H GLN A 6 2.719 -0.258 14.129 1.00 0.00 H new ATOM 0 HA GLN A 6 0.723 -1.566 12.882 1.00 0.00 H new ATOM 0 HB2 GLN A 6 2.428 0.746 11.868 1.00 0.00 H new ATOM 0 HB3 GLN A 6 0.917 0.270 11.119 1.00 0.00 H new ATOM 0 HG2 GLN A 6 1.198 1.124 14.021 1.00 0.00 H new ATOM 0 HG3 GLN A 6 0.715 2.190 12.717 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -1.282 1.699 11.525 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -2.586 0.852 12.363 1.00 0.00 H new ATOM 68 N TYR A 7 3.499 -2.040 11.207 1.00 0.00 N ATOM 69 CA TYR A 7 4.091 -2.830 10.137 1.00 0.00 C ATOM 70 C TYR A 7 3.712 -4.297 10.274 1.00 0.00 C ATOM 71 O TYR A 7 3.191 -4.909 9.342 1.00 0.00 O ATOM 72 CB TYR A 7 5.613 -2.674 10.137 1.00 0.00 C ATOM 73 CG TYR A 7 6.328 -3.385 11.266 1.00 0.00 C ATOM 74 CD1 TYR A 7 6.307 -2.874 12.556 1.00 0.00 C ATOM 75 CD2 TYR A 7 7.028 -4.563 11.037 1.00 0.00 C ATOM 76 CE1 TYR A 7 6.962 -3.517 13.589 1.00 0.00 C ATOM 77 CE2 TYR A 7 7.686 -5.212 12.065 1.00 0.00 C ATOM 78 CZ TYR A 7 7.650 -4.685 13.338 1.00 0.00 C ATOM 79 OH TYR A 7 8.305 -5.327 14.363 1.00 0.00 O ATOM 0 H TYR A 7 4.171 -1.530 11.780 1.00 0.00 H new ATOM 0 HA TYR A 7 3.701 -2.462 9.188 1.00 0.00 H new ATOM 0 HB2 TYR A 7 6.002 -3.046 9.189 1.00 0.00 H new ATOM 0 HB3 TYR A 7 5.855 -1.612 10.185 1.00 0.00 H new ATOM 0 HD1 TYR A 7 5.770 -1.959 12.756 1.00 0.00 H new ATOM 0 HD2 TYR A 7 7.059 -4.978 10.040 1.00 0.00 H new ATOM 0 HE1 TYR A 7 6.935 -3.107 14.588 1.00 0.00 H new ATOM 0 HE2 TYR A 7 8.226 -6.127 11.872 1.00 0.00 H new ATOM 0 HH TYR A 7 8.083 -6.281 14.346 1.00 0.00 H new ATOM 89 N GLU A 8 3.979 -4.850 11.447 1.00 0.00 N ATOM 90 CA GLU A 8 3.671 -6.246 11.725 1.00 0.00 C ATOM 91 C GLU A 8 2.210 -6.552 11.413 1.00 0.00 C ATOM 92 O GLU A 8 1.869 -7.672 11.031 1.00 0.00 O ATOM 93 CB GLU A 8 3.988 -6.588 13.181 1.00 0.00 C ATOM 94 CG GLU A 8 4.981 -7.729 13.322 1.00 0.00 C ATOM 95 CD GLU A 8 5.859 -7.592 14.550 1.00 0.00 C ATOM 96 OE1 GLU A 8 5.312 -7.582 15.672 1.00 0.00 O ATOM 97 OE2 GLU A 8 7.094 -7.497 14.389 1.00 0.00 O ATOM 0 H GLU A 8 4.410 -4.352 12.225 1.00 0.00 H new ATOM 0 HA GLU A 8 4.295 -6.865 11.080 1.00 0.00 H new ATOM 0 HB2 GLU A 8 4.387 -5.703 13.677 1.00 0.00 H new ATOM 0 HB3 GLU A 8 3.064 -6.852 13.695 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.439 -8.673 13.372 1.00 0.00 H new ATOM 0 HG3 GLU A 8 5.610 -7.769 12.433 1.00 0.00 H new ATOM 104 N LEU A 9 1.350 -5.548 11.563 1.00 0.00 N ATOM 105 CA LEU A 9 -0.069 -5.721 11.277 1.00 0.00 C ATOM 106 C LEU A 9 -0.261 -6.079 9.808 1.00 0.00 C ATOM 107 O LEU A 9 -0.638 -7.204 9.476 1.00 0.00 O ATOM 108 CB LEU A 9 -0.851 -4.450 11.619 1.00 0.00 C ATOM 109 CG LEU A 9 -0.665 -3.937 13.049 1.00 0.00 C ATOM 110 CD1 LEU A 9 -1.614 -2.782 13.328 1.00 0.00 C ATOM 111 CD2 LEU A 9 -0.882 -5.061 14.052 1.00 0.00 C ATOM 0 H LEU A 9 1.609 -4.613 11.879 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.452 -6.533 11.896 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.555 -3.663 10.926 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -1.912 -4.639 11.453 1.00 0.00 H new ATOM 0 HG LEU A 9 0.358 -3.575 13.155 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.468 -2.430 14.349 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.412 -1.969 12.631 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.643 -3.119 13.204 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.746 -4.678 15.063 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.893 -5.453 13.946 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.162 -5.858 13.866 1.00 0.00 H new ATOM 123 N PHE A 10 0.024 -5.124 8.926 1.00 0.00 N ATOM 124 CA PHE A 10 -0.096 -5.359 7.495 1.00 0.00 C ATOM 125 C PHE A 10 0.798 -6.527 7.095 1.00 0.00 C ATOM 126 O PHE A 10 0.446 -7.335 6.237 1.00 0.00 O ATOM 127 CB PHE A 10 0.272 -4.094 6.709 1.00 0.00 C ATOM 128 CG PHE A 10 1.734 -3.971 6.371 1.00 0.00 C ATOM 129 CD1 PHE A 10 2.273 -4.671 5.303 1.00 0.00 C ATOM 130 CD2 PHE A 10 2.566 -3.154 7.119 1.00 0.00 C ATOM 131 CE1 PHE A 10 3.613 -4.559 4.988 1.00 0.00 C ATOM 132 CE2 PHE A 10 3.908 -3.037 6.808 1.00 0.00 C ATOM 133 CZ PHE A 10 4.432 -3.741 5.741 1.00 0.00 C ATOM 0 H PHE A 10 0.338 -4.187 9.178 1.00 0.00 H new ATOM 0 HA PHE A 10 -1.130 -5.609 7.258 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -0.304 -4.076 5.784 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.028 -3.221 7.289 1.00 0.00 H new ATOM 0 HD1 PHE A 10 1.637 -5.312 4.710 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.162 -2.602 7.955 1.00 0.00 H new ATOM 0 HE1 PHE A 10 4.020 -5.111 4.153 1.00 0.00 H new ATOM 0 HE2 PHE A 10 4.546 -2.396 7.398 1.00 0.00 H new ATOM 0 HZ PHE A 10 5.480 -3.652 5.496 1.00 0.00 H new ATOM 143 N MET A 11 1.953 -6.609 7.750 1.00 0.00 N ATOM 144 CA MET A 11 2.914 -7.679 7.504 1.00 0.00 C ATOM 145 C MET A 11 2.202 -9.026 7.471 1.00 0.00 C ATOM 146 O MET A 11 2.143 -9.683 6.431 1.00 0.00 O ATOM 147 CB MET A 11 3.992 -7.669 8.596 1.00 0.00 C ATOM 148 CG MET A 11 4.829 -8.941 8.675 1.00 0.00 C ATOM 149 SD MET A 11 6.530 -8.690 8.137 1.00 0.00 S ATOM 150 CE MET A 11 6.362 -9.000 6.383 1.00 0.00 C ATOM 0 H MET A 11 2.247 -5.940 8.462 1.00 0.00 H new ATOM 0 HA MET A 11 3.391 -7.517 6.537 1.00 0.00 H new ATOM 0 HB2 MET A 11 4.657 -6.823 8.424 1.00 0.00 H new ATOM 0 HB3 MET A 11 3.512 -7.506 9.561 1.00 0.00 H new ATOM 0 HG2 MET A 11 4.828 -9.309 9.701 1.00 0.00 H new ATOM 0 HG3 MET A 11 4.368 -9.713 8.059 1.00 0.00 H new ATOM 0 HE1 MET A 11 6.916 -9.901 6.118 1.00 0.00 H new ATOM 0 HE2 MET A 11 5.309 -9.136 6.137 1.00 0.00 H new ATOM 0 HE3 MET A 11 6.759 -8.153 5.824 1.00 0.00 H new ATOM 160 N LYS A 12 1.648 -9.425 8.613 1.00 0.00 N ATOM 161 CA LYS A 12 0.926 -10.687 8.709 1.00 0.00 C ATOM 162 C LYS A 12 -0.078 -10.809 7.570 1.00 0.00 C ATOM 163 O LYS A 12 -0.359 -11.905 7.087 1.00 0.00 O ATOM 164 CB LYS A 12 0.207 -10.789 10.055 1.00 0.00 C ATOM 165 CG LYS A 12 1.150 -10.829 11.247 1.00 0.00 C ATOM 166 CD LYS A 12 1.808 -12.193 11.394 1.00 0.00 C ATOM 167 CE LYS A 12 1.528 -12.804 12.757 1.00 0.00 C ATOM 168 NZ LYS A 12 0.206 -13.488 12.798 1.00 0.00 N ATOM 0 H LYS A 12 1.686 -8.893 9.482 1.00 0.00 H new ATOM 0 HA LYS A 12 1.645 -11.503 8.634 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -0.466 -9.939 10.163 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -0.411 -11.687 10.061 1.00 0.00 H new ATOM 0 HG2 LYS A 12 1.918 -10.064 11.130 1.00 0.00 H new ATOM 0 HG3 LYS A 12 0.598 -10.590 12.156 1.00 0.00 H new ATOM 0 HD2 LYS A 12 1.443 -12.860 10.613 1.00 0.00 H new ATOM 0 HD3 LYS A 12 2.884 -12.096 11.252 1.00 0.00 H new ATOM 0 HE2 LYS A 12 2.314 -13.518 13.003 1.00 0.00 H new ATOM 0 HE3 LYS A 12 1.557 -12.024 13.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 0.053 -13.891 13.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -0.547 -12.802 12.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 0.187 -14.250 12.090 1.00 0.00 H new ATOM 182 N SER A 13 -0.606 -9.666 7.141 1.00 0.00 N ATOM 183 CA SER A 13 -1.572 -9.629 6.052 1.00 0.00 C ATOM 184 C SER A 13 -0.892 -9.914 4.717 1.00 0.00 C ATOM 185 O SER A 13 -1.314 -10.801 3.974 1.00 0.00 O ATOM 186 CB SER A 13 -2.263 -8.267 6.004 1.00 0.00 C ATOM 187 OG SER A 13 -2.501 -7.770 7.309 1.00 0.00 O ATOM 0 H SER A 13 -0.379 -8.752 7.533 1.00 0.00 H new ATOM 0 HA SER A 13 -2.319 -10.401 6.233 1.00 0.00 H new ATOM 0 HB2 SER A 13 -1.644 -7.561 5.450 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.207 -8.353 5.467 1.00 0.00 H new ATOM 0 HG SER A 13 -2.871 -6.864 7.252 1.00 0.00 H new ATOM 193 N LEU A 14 0.170 -9.164 4.417 1.00 0.00 N ATOM 194 CA LEU A 14 0.909 -9.348 3.175 1.00 0.00 C ATOM 195 C LEU A 14 1.228 -10.821 2.958 1.00 0.00 C ATOM 196 O LEU A 14 0.773 -11.436 1.995 1.00 0.00 O ATOM 197 CB LEU A 14 2.218 -8.558 3.210 1.00 0.00 C ATOM 198 CG LEU A 14 2.986 -8.526 1.894 1.00 0.00 C ATOM 199 CD1 LEU A 14 3.622 -9.876 1.605 1.00 0.00 C ATOM 200 CD2 LEU A 14 2.074 -8.114 0.761 1.00 0.00 C ATOM 0 H LEU A 14 0.534 -8.425 5.019 1.00 0.00 H new ATOM 0 HA LEU A 14 0.286 -8.986 2.357 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.999 -7.533 3.510 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.862 -8.985 3.979 1.00 0.00 H new ATOM 0 HG LEU A 14 3.784 -7.789 1.982 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.164 -9.828 0.661 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.313 -10.132 2.408 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.845 -10.638 1.539 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.638 -8.096 -0.172 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.254 -8.827 0.676 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.671 -7.121 0.961 1.00 0.00 H new ATOM 212 N ILE A 15 2.021 -11.378 3.870 1.00 0.00 N ATOM 213 CA ILE A 15 2.413 -12.782 3.791 1.00 0.00 C ATOM 214 C ILE A 15 1.184 -13.667 3.621 1.00 0.00 C ATOM 215 O ILE A 15 1.243 -14.719 2.986 1.00 0.00 O ATOM 216 CB ILE A 15 3.207 -13.242 5.036 1.00 0.00 C ATOM 217 CG1 ILE A 15 4.089 -12.115 5.585 1.00 0.00 C ATOM 218 CG2 ILE A 15 4.064 -14.445 4.689 1.00 0.00 C ATOM 219 CD1 ILE A 15 4.922 -11.424 4.526 1.00 0.00 C ATOM 0 H ILE A 15 2.405 -10.878 4.672 1.00 0.00 H new ATOM 0 HA ILE A 15 3.065 -12.879 2.923 1.00 0.00 H new ATOM 0 HB ILE A 15 2.489 -13.516 5.809 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.456 -11.376 6.076 1.00 0.00 H new ATOM 0 HG13 ILE A 15 4.752 -12.523 6.347 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.620 -14.762 5.571 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.426 -15.261 4.349 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.763 -14.177 3.897 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.520 -10.639 4.988 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.582 -12.150 4.051 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.265 -10.985 3.775 1.00 0.00 H new ATOM 231 N GLU A 16 0.064 -13.222 4.178 1.00 0.00 N ATOM 232 CA GLU A 16 -1.180 -13.954 4.072 1.00 0.00 C ATOM 233 C GLU A 16 -1.623 -14.018 2.613 1.00 0.00 C ATOM 234 O GLU A 16 -2.261 -14.979 2.186 1.00 0.00 O ATOM 235 CB GLU A 16 -2.247 -13.270 4.922 1.00 0.00 C ATOM 236 CG GLU A 16 -2.992 -14.219 5.840 1.00 0.00 C ATOM 237 CD GLU A 16 -4.495 -14.026 5.787 1.00 0.00 C ATOM 238 OE1 GLU A 16 -4.954 -12.880 5.980 1.00 0.00 O ATOM 239 OE2 GLU A 16 -5.213 -15.021 5.554 1.00 0.00 O ATOM 0 H GLU A 16 -0.002 -12.353 4.709 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.035 -14.971 4.435 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.777 -12.491 5.522 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.963 -12.777 4.264 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.752 -15.246 5.566 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.647 -14.073 6.864 1.00 0.00 H new ATOM 246 N ASN A 17 -1.266 -12.984 1.853 1.00 0.00 N ATOM 247 CA ASN A 17 -1.611 -12.915 0.440 1.00 0.00 C ATOM 248 C ASN A 17 -0.710 -13.832 -0.374 1.00 0.00 C ATOM 249 O ASN A 17 -1.178 -14.575 -1.234 1.00 0.00 O ATOM 250 CB ASN A 17 -1.504 -11.475 -0.066 1.00 0.00 C ATOM 251 CG ASN A 17 -1.386 -11.384 -1.578 1.00 0.00 C ATOM 252 OD1 ASN A 17 -2.360 -11.099 -2.273 1.00 0.00 O ATOM 253 ND2 ASN A 17 -0.188 -11.631 -2.095 1.00 0.00 N ATOM 0 H ASN A 17 -0.737 -12.182 2.196 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.642 -13.249 0.320 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -2.381 -10.916 0.259 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -0.636 -10.999 0.390 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -0.049 -11.588 -3.105 1.00 0.00 H new ATOM 0 HD22 ASN A 17 0.594 -11.864 -1.482 1.00 0.00 H new ATOM 260 N CYS A 18 0.586 -13.780 -0.098 1.00 0.00 N ATOM 261 CA CYS A 18 1.533 -14.617 -0.812 1.00 0.00 C ATOM 262 C CYS A 18 1.218 -16.088 -0.568 1.00 0.00 C ATOM 263 O CYS A 18 1.279 -16.904 -1.482 1.00 0.00 O ATOM 264 CB CYS A 18 2.973 -14.290 -0.389 1.00 0.00 C ATOM 265 SG CYS A 18 3.462 -14.952 1.221 1.00 0.00 S ATOM 0 H CYS A 18 1.000 -13.172 0.609 1.00 0.00 H new ATOM 0 HA CYS A 18 1.443 -14.415 -1.879 1.00 0.00 H new ATOM 0 HB2 CYS A 18 3.655 -14.676 -1.147 1.00 0.00 H new ATOM 0 HB3 CYS A 18 3.094 -13.207 -0.372 1.00 0.00 H new ATOM 0 HG CYS A 18 2.465 -14.857 2.050 1.00 0.00 H new ATOM 271 N LYS A 19 0.877 -16.416 0.674 1.00 0.00 N ATOM 272 CA LYS A 19 0.551 -17.790 1.042 1.00 0.00 C ATOM 273 C LYS A 19 -0.839 -18.180 0.556 1.00 0.00 C ATOM 274 O LYS A 19 -1.130 -19.363 0.382 1.00 0.00 O ATOM 275 CB LYS A 19 0.649 -17.972 2.559 1.00 0.00 C ATOM 276 CG LYS A 19 1.606 -19.077 2.977 1.00 0.00 C ATOM 277 CD LYS A 19 2.243 -18.783 4.325 1.00 0.00 C ATOM 278 CE LYS A 19 3.601 -18.117 4.166 1.00 0.00 C ATOM 279 NZ LYS A 19 4.416 -18.212 5.409 1.00 0.00 N ATOM 0 H LYS A 19 0.819 -15.749 1.443 1.00 0.00 H new ATOM 0 HA LYS A 19 1.274 -18.445 0.557 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.972 -17.033 3.009 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.342 -18.192 2.955 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.070 -20.025 3.026 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.385 -19.190 2.223 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.585 -18.137 4.906 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.355 -19.711 4.886 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.140 -18.584 3.342 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.462 -17.069 3.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.334 -17.746 5.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.914 -17.744 6.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.571 -19.212 5.647 1.00 0.00 H new ATOM 293 N LYS A 20 -1.697 -17.191 0.333 1.00 0.00 N ATOM 294 CA LYS A 20 -3.046 -17.468 -0.136 1.00 0.00 C ATOM 295 C LYS A 20 -3.128 -17.381 -1.655 1.00 0.00 C ATOM 296 O LYS A 20 -4.041 -17.932 -2.270 1.00 0.00 O ATOM 297 CB LYS A 20 -4.061 -16.522 0.521 1.00 0.00 C ATOM 298 CG LYS A 20 -4.087 -15.119 -0.076 1.00 0.00 C ATOM 299 CD LYS A 20 -5.291 -14.922 -0.984 1.00 0.00 C ATOM 300 CE LYS A 20 -6.487 -14.380 -0.216 1.00 0.00 C ATOM 301 NZ LYS A 20 -6.775 -12.961 -0.565 1.00 0.00 N ATOM 0 H LYS A 20 -1.485 -16.202 0.468 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.297 -18.488 0.155 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -5.056 -16.959 0.436 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.835 -16.448 1.585 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.110 -14.381 0.726 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.171 -14.946 -0.641 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.032 -14.234 -1.789 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.556 -15.871 -1.449 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -7.363 -14.992 -0.430 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.297 -14.459 0.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -7.597 -12.629 -0.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -5.948 -12.373 -0.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.981 -12.889 -1.582 1.00 0.00 H new ATOM 315 N ARG A 21 -2.160 -16.702 -2.256 1.00 0.00 N ATOM 316 CA ARG A 21 -2.113 -16.563 -3.701 1.00 0.00 C ATOM 317 C ARG A 21 -1.251 -17.669 -4.315 1.00 0.00 C ATOM 318 O ARG A 21 -0.888 -17.611 -5.487 1.00 0.00 O ATOM 319 CB ARG A 21 -1.561 -15.186 -4.074 1.00 0.00 C ATOM 320 CG ARG A 21 -2.004 -14.698 -5.442 1.00 0.00 C ATOM 321 CD ARG A 21 -1.113 -15.246 -6.543 1.00 0.00 C ATOM 322 NE ARG A 21 -0.770 -14.224 -7.531 1.00 0.00 N ATOM 323 CZ ARG A 21 -0.734 -14.437 -8.846 1.00 0.00 C ATOM 324 NH1 ARG A 21 -1.003 -15.638 -9.346 1.00 0.00 N ATOM 325 NH2 ARG A 21 -0.423 -13.443 -9.667 1.00 0.00 N ATOM 0 H ARG A 21 -1.397 -16.239 -1.762 1.00 0.00 H new ATOM 0 HA ARG A 21 -3.124 -16.656 -4.098 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -1.875 -14.463 -3.321 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -0.472 -15.222 -4.046 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -3.035 -15.002 -5.622 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -1.984 -13.608 -5.465 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -0.199 -15.647 -6.104 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -1.618 -16.075 -7.039 1.00 0.00 H new ATOM 0 HE ARG A 21 -0.544 -13.289 -7.192 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -1.240 -16.409 -8.722 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -0.972 -15.789 -10.354 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -0.212 -12.518 -9.291 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -0.395 -13.603 -10.674 1.00 0.00 H new ATOM 339 N ASN A 22 -0.932 -18.682 -3.507 1.00 0.00 N ATOM 340 CA ASN A 22 -0.121 -19.808 -3.950 1.00 0.00 C ATOM 341 C ASN A 22 1.337 -19.408 -4.092 1.00 0.00 C ATOM 342 O ASN A 22 2.023 -19.794 -5.039 1.00 0.00 O ATOM 343 CB ASN A 22 -0.663 -20.377 -5.254 1.00 0.00 C ATOM 344 CG ASN A 22 0.135 -21.565 -5.757 1.00 0.00 C ATOM 345 OD1 ASN A 22 0.369 -22.525 -5.023 1.00 0.00 O ATOM 346 ND2 ASN A 22 0.558 -21.504 -7.014 1.00 0.00 N ATOM 0 H ASN A 22 -1.229 -18.741 -2.533 1.00 0.00 H new ATOM 0 HA ASN A 22 -0.177 -20.588 -3.190 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -1.701 -20.678 -5.110 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -0.660 -19.596 -6.014 1.00 0.00 H new ATOM 0 HD21 ASN A 22 1.100 -22.273 -7.407 1.00 0.00 H new ATOM 0 HD22 ASN A 22 0.340 -20.688 -7.586 1.00 0.00 H new ATOM 353 N MET A 23 1.801 -18.651 -3.117 1.00 0.00 N ATOM 354 CA MET A 23 3.187 -18.198 -3.072 1.00 0.00 C ATOM 355 C MET A 23 3.673 -17.599 -4.387 1.00 0.00 C ATOM 356 O MET A 23 4.624 -18.098 -4.991 1.00 0.00 O ATOM 357 CB MET A 23 4.099 -19.352 -2.657 1.00 0.00 C ATOM 358 CG MET A 23 5.337 -18.908 -1.895 1.00 0.00 C ATOM 359 SD MET A 23 5.033 -18.725 -0.127 1.00 0.00 S ATOM 360 CE MET A 23 3.472 -17.849 -0.143 1.00 0.00 C ATOM 0 H MET A 23 1.233 -18.330 -2.333 1.00 0.00 H new ATOM 0 HA MET A 23 3.228 -17.398 -2.333 1.00 0.00 H new ATOM 0 HB2 MET A 23 3.532 -20.047 -2.038 1.00 0.00 H new ATOM 0 HB3 MET A 23 4.408 -19.898 -3.548 1.00 0.00 H new ATOM 0 HG2 MET A 23 6.135 -19.635 -2.050 1.00 0.00 H new ATOM 0 HG3 MET A 23 5.688 -17.959 -2.300 1.00 0.00 H new ATOM 0 HE1 MET A 23 3.185 -17.598 0.878 1.00 0.00 H new ATOM 0 HE2 MET A 23 3.574 -16.934 -0.726 1.00 0.00 H new ATOM 0 HE3 MET A 23 2.705 -18.481 -0.591 1.00 0.00 H new ATOM 370 N PRO A 24 3.060 -16.492 -4.832 1.00 0.00 N ATOM 371 CA PRO A 24 3.472 -15.802 -6.055 1.00 0.00 C ATOM 372 C PRO A 24 4.680 -14.904 -5.806 1.00 0.00 C ATOM 373 O PRO A 24 4.880 -13.905 -6.497 1.00 0.00 O ATOM 374 CB PRO A 24 2.253 -14.948 -6.374 1.00 0.00 C ATOM 375 CG PRO A 24 1.740 -14.572 -5.027 1.00 0.00 C ATOM 376 CD PRO A 24 1.936 -15.798 -4.169 1.00 0.00 C ATOM 0 HA PRO A 24 3.765 -16.486 -6.851 1.00 0.00 H new ATOM 0 HB2 PRO A 24 2.519 -14.070 -6.963 1.00 0.00 H new ATOM 0 HB3 PRO A 24 1.511 -15.504 -6.947 1.00 0.00 H new ATOM 0 HG2 PRO A 24 2.284 -13.718 -4.623 1.00 0.00 H new ATOM 0 HG3 PRO A 24 0.689 -14.287 -5.072 1.00 0.00 H new ATOM 0 HD2 PRO A 24 2.175 -15.535 -3.139 1.00 0.00 H new ATOM 0 HD3 PRO A 24 1.040 -16.418 -4.140 1.00 0.00 H new ATOM 384 N LEU A 25 5.466 -15.255 -4.793 1.00 0.00 N ATOM 385 CA LEU A 25 6.637 -14.475 -4.421 1.00 0.00 C ATOM 386 C LEU A 25 7.512 -15.252 -3.437 1.00 0.00 C ATOM 387 O LEU A 25 7.256 -15.252 -2.233 1.00 0.00 O ATOM 388 CB LEU A 25 6.179 -13.151 -3.800 1.00 0.00 C ATOM 389 CG LEU A 25 7.254 -12.347 -3.068 1.00 0.00 C ATOM 390 CD1 LEU A 25 7.927 -11.376 -4.024 1.00 0.00 C ATOM 391 CD2 LEU A 25 6.645 -11.607 -1.882 1.00 0.00 C ATOM 0 H LEU A 25 5.310 -16.080 -4.213 1.00 0.00 H new ATOM 0 HA LEU A 25 7.233 -14.273 -5.311 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.762 -12.527 -4.590 1.00 0.00 H new ATOM 0 HB3 LEU A 25 5.371 -13.361 -3.100 1.00 0.00 H new ATOM 0 HG LEU A 25 8.011 -13.034 -2.689 1.00 0.00 H new ATOM 0 HD11 LEU A 25 8.690 -10.810 -3.490 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.391 -11.931 -4.839 1.00 0.00 H new ATOM 0 HD13 LEU A 25 7.183 -10.690 -4.429 1.00 0.00 H new ATOM 0 HD21 LEU A 25 7.422 -11.039 -1.370 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.871 -10.926 -2.236 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.206 -12.326 -1.191 1.00 0.00 H new ATOM 403 N GLN A 26 8.546 -15.909 -3.955 1.00 0.00 N ATOM 404 CA GLN A 26 9.457 -16.685 -3.118 1.00 0.00 C ATOM 405 C GLN A 26 10.377 -15.770 -2.310 1.00 0.00 C ATOM 406 O GLN A 26 10.994 -16.198 -1.335 1.00 0.00 O ATOM 407 CB GLN A 26 10.290 -17.636 -3.979 1.00 0.00 C ATOM 408 CG GLN A 26 9.581 -18.941 -4.303 1.00 0.00 C ATOM 409 CD GLN A 26 10.203 -20.134 -3.602 1.00 0.00 C ATOM 410 OE1 GLN A 26 9.611 -20.709 -2.689 1.00 0.00 O ATOM 411 NE2 GLN A 26 11.403 -20.511 -4.028 1.00 0.00 N ATOM 0 H GLN A 26 8.774 -15.920 -4.949 1.00 0.00 H new ATOM 0 HA GLN A 26 8.857 -17.269 -2.420 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.553 -17.134 -4.910 1.00 0.00 H new ATOM 0 HB3 GLN A 26 11.224 -17.858 -3.462 1.00 0.00 H new ATOM 0 HG2 GLN A 26 8.533 -18.862 -4.015 1.00 0.00 H new ATOM 0 HG3 GLN A 26 9.604 -19.105 -5.380 1.00 0.00 H new ATOM 0 HE21 GLN A 26 11.857 -20.005 -4.788 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.871 -21.307 -3.595 1.00 0.00 H new ATOM 420 N SER A 27 10.459 -14.507 -2.720 1.00 0.00 N ATOM 421 CA SER A 27 11.293 -13.526 -2.039 1.00 0.00 C ATOM 422 C SER A 27 10.655 -12.147 -2.135 1.00 0.00 C ATOM 423 O SER A 27 10.484 -11.611 -3.229 1.00 0.00 O ATOM 424 CB SER A 27 12.696 -13.500 -2.649 1.00 0.00 C ATOM 425 OG SER A 27 13.170 -14.812 -2.895 1.00 0.00 O ATOM 0 H SER A 27 9.954 -14.139 -3.526 1.00 0.00 H new ATOM 0 HA SER A 27 11.377 -13.808 -0.989 1.00 0.00 H new ATOM 0 HB2 SER A 27 12.680 -12.935 -3.581 1.00 0.00 H new ATOM 0 HB3 SER A 27 13.379 -12.984 -1.975 1.00 0.00 H new ATOM 0 HG SER A 27 14.067 -14.768 -3.286 1.00 0.00 H new ATOM 431 N ILE A 28 10.294 -11.580 -0.990 1.00 0.00 N ATOM 432 CA ILE A 28 9.660 -10.270 -0.960 1.00 0.00 C ATOM 433 C ILE A 28 10.538 -9.232 -1.641 1.00 0.00 C ATOM 434 O ILE A 28 11.764 -9.332 -1.611 1.00 0.00 O ATOM 435 CB ILE A 28 9.361 -9.775 0.476 1.00 0.00 C ATOM 436 CG1 ILE A 28 9.345 -10.917 1.493 1.00 0.00 C ATOM 437 CG2 ILE A 28 8.041 -9.019 0.508 1.00 0.00 C ATOM 438 CD1 ILE A 28 8.370 -12.030 1.161 1.00 0.00 C ATOM 0 H ILE A 28 10.429 -12.006 -0.073 1.00 0.00 H new ATOM 0 HA ILE A 28 8.715 -10.388 -1.489 1.00 0.00 H new ATOM 0 HB ILE A 28 10.170 -9.102 0.761 1.00 0.00 H new ATOM 0 HG12 ILE A 28 10.348 -11.337 1.566 1.00 0.00 H new ATOM 0 HG13 ILE A 28 9.097 -10.512 2.474 1.00 0.00 H new ATOM 0 HG21 ILE A 28 7.842 -8.676 1.524 1.00 0.00 H new ATOM 0 HG22 ILE A 28 8.097 -8.160 -0.160 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.236 -9.679 0.184 1.00 0.00 H new ATOM 0 HD11 ILE A 28 8.421 -12.800 1.931 1.00 0.00 H new ATOM 0 HD12 ILE A 28 7.358 -11.626 1.117 1.00 0.00 H new ATOM 0 HD13 ILE A 28 8.629 -12.465 0.196 1.00 0.00 H new ATOM 450 N PRO A 29 9.926 -8.205 -2.249 1.00 0.00 N ATOM 451 CA PRO A 29 10.669 -7.142 -2.913 1.00 0.00 C ATOM 452 C PRO A 29 11.394 -6.276 -1.894 1.00 0.00 C ATOM 453 O PRO A 29 11.097 -5.091 -1.748 1.00 0.00 O ATOM 454 CB PRO A 29 9.590 -6.329 -3.649 1.00 0.00 C ATOM 455 CG PRO A 29 8.342 -7.142 -3.561 1.00 0.00 C ATOM 456 CD PRO A 29 8.478 -7.983 -2.325 1.00 0.00 C ATOM 0 HA PRO A 29 11.435 -7.526 -3.587 1.00 0.00 H new ATOM 0 HB2 PRO A 29 9.454 -5.351 -3.187 1.00 0.00 H new ATOM 0 HB3 PRO A 29 9.871 -6.155 -4.688 1.00 0.00 H new ATOM 0 HG2 PRO A 29 7.463 -6.501 -3.501 1.00 0.00 H new ATOM 0 HG3 PRO A 29 8.221 -7.767 -4.446 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.099 -7.469 -1.441 1.00 0.00 H new ATOM 0 HD3 PRO A 29 7.928 -8.920 -2.409 1.00 0.00 H new ATOM 464 N GLU A 30 12.340 -6.882 -1.180 1.00 0.00 N ATOM 465 CA GLU A 30 13.107 -6.174 -0.165 1.00 0.00 C ATOM 466 C GLU A 30 14.002 -5.117 -0.817 1.00 0.00 C ATOM 467 O GLU A 30 15.228 -5.176 -0.712 1.00 0.00 O ATOM 468 CB GLU A 30 13.961 -7.161 0.635 1.00 0.00 C ATOM 469 CG GLU A 30 14.774 -8.107 -0.234 1.00 0.00 C ATOM 470 CD GLU A 30 16.235 -8.159 0.166 1.00 0.00 C ATOM 471 OE1 GLU A 30 16.526 -8.610 1.294 1.00 0.00 O ATOM 472 OE2 GLU A 30 17.089 -7.748 -0.648 1.00 0.00 O ATOM 0 H GLU A 30 12.592 -7.864 -1.288 1.00 0.00 H new ATOM 0 HA GLU A 30 12.412 -5.677 0.512 1.00 0.00 H new ATOM 0 HB2 GLU A 30 14.638 -6.602 1.281 1.00 0.00 H new ATOM 0 HB3 GLU A 30 13.311 -7.747 1.285 1.00 0.00 H new ATOM 0 HG2 GLU A 30 14.348 -9.108 -0.170 1.00 0.00 H new ATOM 0 HG3 GLU A 30 14.698 -7.794 -1.275 1.00 0.00 H new ATOM 479 N ILE A 31 13.382 -4.162 -1.506 1.00 0.00 N ATOM 480 CA ILE A 31 14.112 -3.104 -2.196 1.00 0.00 C ATOM 481 C ILE A 31 14.190 -1.846 -1.339 1.00 0.00 C ATOM 482 O ILE A 31 13.383 -1.651 -0.430 1.00 0.00 O ATOM 483 CB ILE A 31 13.446 -2.759 -3.549 1.00 0.00 C ATOM 484 CG1 ILE A 31 12.913 -4.026 -4.224 1.00 0.00 C ATOM 485 CG2 ILE A 31 14.423 -2.045 -4.473 1.00 0.00 C ATOM 486 CD1 ILE A 31 13.955 -5.111 -4.387 1.00 0.00 C ATOM 0 H ILE A 31 12.368 -4.100 -1.601 1.00 0.00 H new ATOM 0 HA ILE A 31 15.120 -3.474 -2.380 1.00 0.00 H new ATOM 0 HB ILE A 31 12.610 -2.088 -3.349 1.00 0.00 H new ATOM 0 HG12 ILE A 31 12.082 -4.418 -3.638 1.00 0.00 H new ATOM 0 HG13 ILE A 31 12.516 -3.765 -5.205 1.00 0.00 H new ATOM 0 HG21 ILE A 31 13.929 -1.814 -5.417 1.00 0.00 H new ATOM 0 HG22 ILE A 31 14.758 -1.120 -4.003 1.00 0.00 H new ATOM 0 HG23 ILE A 31 15.282 -2.689 -4.661 1.00 0.00 H new ATOM 0 HD11 ILE A 31 13.505 -5.977 -4.872 1.00 0.00 H new ATOM 0 HD12 ILE A 31 14.776 -4.738 -4.999 1.00 0.00 H new ATOM 0 HD13 ILE A 31 14.335 -5.400 -3.407 1.00 0.00 H new ATOM 498 N GLY A 32 15.167 -0.996 -1.632 1.00 0.00 N ATOM 499 CA GLY A 32 15.333 0.232 -0.876 1.00 0.00 C ATOM 500 C GLY A 32 16.084 0.022 0.426 1.00 0.00 C ATOM 501 O GLY A 32 16.073 0.889 1.300 1.00 0.00 O ATOM 0 H GLY A 32 15.847 -1.135 -2.379 1.00 0.00 H new ATOM 0 HA2 GLY A 32 15.868 0.960 -1.486 1.00 0.00 H new ATOM 0 HA3 GLY A 32 14.352 0.656 -0.661 1.00 0.00 H new ATOM 505 N ASN A 33 16.739 -1.129 0.558 1.00 0.00 N ATOM 506 CA ASN A 33 17.496 -1.443 1.765 1.00 0.00 C ATOM 507 C ASN A 33 16.601 -1.392 3.001 1.00 0.00 C ATOM 508 O ASN A 33 16.928 -0.738 3.991 1.00 0.00 O ATOM 509 CB ASN A 33 18.665 -0.469 1.924 1.00 0.00 C ATOM 510 CG ASN A 33 19.757 -1.018 2.821 1.00 0.00 C ATOM 511 OD1 ASN A 33 20.045 -2.215 2.807 1.00 0.00 O ATOM 512 ND2 ASN A 33 20.372 -0.143 3.608 1.00 0.00 N ATOM 0 H ASN A 33 16.760 -1.858 -0.155 1.00 0.00 H new ATOM 0 HA ASN A 33 17.886 -2.456 1.666 1.00 0.00 H new ATOM 0 HB2 ASN A 33 19.083 -0.244 0.943 1.00 0.00 H new ATOM 0 HB3 ASN A 33 18.298 0.471 2.337 1.00 0.00 H new ATOM 0 HD21 ASN A 33 21.115 -0.454 4.233 1.00 0.00 H new ATOM 0 HD22 ASN A 33 20.101 0.840 3.587 1.00 0.00 H new ATOM 519 N ARG A 34 15.471 -2.089 2.935 1.00 0.00 N ATOM 520 CA ARG A 34 14.529 -2.125 4.048 1.00 0.00 C ATOM 521 C ARG A 34 13.749 -3.435 4.056 1.00 0.00 C ATOM 522 O ARG A 34 13.449 -3.996 3.002 1.00 0.00 O ATOM 523 CB ARG A 34 13.561 -0.943 3.965 1.00 0.00 C ATOM 524 CG ARG A 34 13.032 -0.687 2.563 1.00 0.00 C ATOM 525 CD ARG A 34 11.647 -0.059 2.593 1.00 0.00 C ATOM 526 NE ARG A 34 11.682 1.364 2.262 1.00 0.00 N ATOM 527 CZ ARG A 34 11.970 2.324 3.137 1.00 0.00 C ATOM 528 NH1 ARG A 34 12.257 2.021 4.398 1.00 0.00 N ATOM 529 NH2 ARG A 34 11.975 3.593 2.751 1.00 0.00 N ATOM 0 H ARG A 34 15.186 -2.636 2.123 1.00 0.00 H new ATOM 0 HA ARG A 34 15.098 -2.054 4.975 1.00 0.00 H new ATOM 0 HB2 ARG A 34 12.720 -1.125 4.634 1.00 0.00 H new ATOM 0 HB3 ARG A 34 14.065 -0.046 4.324 1.00 0.00 H new ATOM 0 HG2 ARG A 34 13.718 -0.030 2.029 1.00 0.00 H new ATOM 0 HG3 ARG A 34 12.995 -1.626 2.011 1.00 0.00 H new ATOM 0 HD2 ARG A 34 10.998 -0.579 1.888 1.00 0.00 H new ATOM 0 HD3 ARG A 34 11.211 -0.190 3.584 1.00 0.00 H new ATOM 0 HE ARG A 34 11.473 1.638 1.302 1.00 0.00 H new ATOM 0 HH11 ARG A 34 12.258 1.047 4.701 1.00 0.00 H new ATOM 0 HH12 ARG A 34 12.477 2.762 5.063 1.00 0.00 H new ATOM 0 HH21 ARG A 34 11.758 3.833 1.784 1.00 0.00 H new ATOM 0 HH22 ARG A 34 12.196 4.329 3.422 1.00 0.00 H new ATOM 543 N LYS A 35 13.424 -3.920 5.250 1.00 0.00 N ATOM 544 CA LYS A 35 12.678 -5.165 5.390 1.00 0.00 C ATOM 545 C LYS A 35 11.230 -4.985 4.946 1.00 0.00 C ATOM 546 O LYS A 35 10.340 -4.777 5.770 1.00 0.00 O ATOM 547 CB LYS A 35 12.723 -5.656 6.838 1.00 0.00 C ATOM 548 CG LYS A 35 12.345 -7.121 6.995 1.00 0.00 C ATOM 549 CD LYS A 35 13.451 -8.040 6.497 1.00 0.00 C ATOM 550 CE LYS A 35 12.913 -9.097 5.545 1.00 0.00 C ATOM 551 NZ LYS A 35 12.281 -10.231 6.273 1.00 0.00 N ATOM 0 H LYS A 35 13.665 -3.470 6.133 1.00 0.00 H new ATOM 0 HA LYS A 35 13.146 -5.911 4.748 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.727 -5.504 7.234 1.00 0.00 H new ATOM 0 HB3 LYS A 35 12.048 -5.048 7.440 1.00 0.00 H new ATOM 0 HG2 LYS A 35 12.139 -7.334 8.044 1.00 0.00 H new ATOM 0 HG3 LYS A 35 11.427 -7.322 6.442 1.00 0.00 H new ATOM 0 HD2 LYS A 35 14.216 -7.450 5.992 1.00 0.00 H new ATOM 0 HD3 LYS A 35 13.932 -8.525 7.346 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.182 -8.644 4.875 1.00 0.00 H new ATOM 0 HE3 LYS A 35 13.726 -9.473 4.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.927 -10.929 5.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.984 -10.680 6.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.489 -9.877 6.847 1.00 0.00 H new ATOM 565 N ILE A 36 11.004 -5.080 3.639 1.00 0.00 N ATOM 566 CA ILE A 36 9.671 -4.941 3.076 1.00 0.00 C ATOM 567 C ILE A 36 9.020 -3.617 3.474 1.00 0.00 C ATOM 568 O ILE A 36 9.427 -2.971 4.439 1.00 0.00 O ATOM 569 CB ILE A 36 8.770 -6.098 3.528 1.00 0.00 C ATOM 570 CG1 ILE A 36 9.416 -7.440 3.197 1.00 0.00 C ATOM 571 CG2 ILE A 36 7.397 -5.997 2.885 1.00 0.00 C ATOM 572 CD1 ILE A 36 8.836 -8.588 3.991 1.00 0.00 C ATOM 0 H ILE A 36 11.734 -5.254 2.948 1.00 0.00 H new ATOM 0 HA ILE A 36 9.782 -4.960 1.992 1.00 0.00 H new ATOM 0 HB ILE A 36 8.646 -6.030 4.609 1.00 0.00 H new ATOM 0 HG12 ILE A 36 9.293 -7.643 2.133 1.00 0.00 H new ATOM 0 HG13 ILE A 36 10.487 -7.378 3.388 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.776 -6.828 3.220 1.00 0.00 H new ATOM 0 HG22 ILE A 36 6.929 -5.055 3.172 1.00 0.00 H new ATOM 0 HG23 ILE A 36 7.499 -6.035 1.800 1.00 0.00 H new ATOM 0 HD11 ILE A 36 9.337 -9.514 3.710 1.00 0.00 H new ATOM 0 HD12 ILE A 36 8.982 -8.405 5.055 1.00 0.00 H new ATOM 0 HD13 ILE A 36 7.770 -8.674 3.781 1.00 0.00 H new ATOM 584 N ASN A 37 7.999 -3.228 2.717 1.00 0.00 N ATOM 585 CA ASN A 37 7.266 -1.992 2.966 1.00 0.00 C ATOM 586 C ASN A 37 6.249 -1.755 1.853 1.00 0.00 C ATOM 587 O ASN A 37 6.146 -0.653 1.312 1.00 0.00 O ATOM 588 CB ASN A 37 8.231 -0.806 3.069 1.00 0.00 C ATOM 589 CG ASN A 37 8.051 -0.028 4.358 1.00 0.00 C ATOM 590 OD1 ASN A 37 7.011 0.591 4.584 1.00 0.00 O ATOM 591 ND2 ASN A 37 9.066 -0.057 5.214 1.00 0.00 N ATOM 0 H ASN A 37 7.657 -3.759 1.916 1.00 0.00 H new ATOM 0 HA ASN A 37 6.736 -2.085 3.914 1.00 0.00 H new ATOM 0 HB2 ASN A 37 9.257 -1.169 3.006 1.00 0.00 H new ATOM 0 HB3 ASN A 37 8.076 -0.140 2.220 1.00 0.00 H new ATOM 0 HD21 ASN A 37 9.002 0.446 6.099 1.00 0.00 H new ATOM 0 HD22 ASN A 37 9.910 -0.583 4.987 1.00 0.00 H new ATOM 598 N LEU A 38 5.507 -2.808 1.510 1.00 0.00 N ATOM 599 CA LEU A 38 4.505 -2.737 0.452 1.00 0.00 C ATOM 600 C LEU A 38 3.367 -1.782 0.794 1.00 0.00 C ATOM 601 O LEU A 38 2.526 -1.499 -0.055 1.00 0.00 O ATOM 602 CB LEU A 38 3.924 -4.125 0.165 1.00 0.00 C ATOM 603 CG LEU A 38 4.897 -5.299 0.295 1.00 0.00 C ATOM 604 CD1 LEU A 38 4.338 -6.528 -0.406 1.00 0.00 C ATOM 605 CD2 LEU A 38 6.262 -4.941 -0.277 1.00 0.00 C ATOM 0 H LEU A 38 5.583 -3.723 1.953 1.00 0.00 H new ATOM 0 HA LEU A 38 5.015 -2.356 -0.433 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.088 -4.295 0.844 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.518 -4.125 -0.847 1.00 0.00 H new ATOM 0 HG LEU A 38 5.020 -5.523 1.355 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.041 -7.355 -0.305 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.386 -6.804 0.047 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.187 -6.307 -1.463 1.00 0.00 H new ATOM 0 HD21 LEU A 38 6.935 -5.792 -0.172 1.00 0.00 H new ATOM 0 HD22 LEU A 38 6.159 -4.687 -1.332 1.00 0.00 H new ATOM 0 HD23 LEU A 38 6.670 -4.087 0.263 1.00 0.00 H new ATOM 617 N PHE A 39 3.321 -1.298 2.031 1.00 0.00 N ATOM 618 CA PHE A 39 2.255 -0.392 2.439 1.00 0.00 C ATOM 619 C PHE A 39 2.626 1.070 2.190 1.00 0.00 C ATOM 620 O PHE A 39 1.826 1.829 1.650 1.00 0.00 O ATOM 621 CB PHE A 39 1.890 -0.622 3.907 1.00 0.00 C ATOM 622 CG PHE A 39 0.578 -1.340 4.088 1.00 0.00 C ATOM 623 CD1 PHE A 39 0.205 -2.370 3.232 1.00 0.00 C ATOM 624 CD2 PHE A 39 -0.284 -0.982 5.111 1.00 0.00 C ATOM 625 CE1 PHE A 39 -1.003 -3.027 3.397 1.00 0.00 C ATOM 626 CE2 PHE A 39 -1.490 -1.635 5.281 1.00 0.00 C ATOM 627 CZ PHE A 39 -1.850 -2.657 4.424 1.00 0.00 C ATOM 0 H PHE A 39 4.001 -1.515 2.760 1.00 0.00 H new ATOM 0 HA PHE A 39 1.381 -0.611 1.825 1.00 0.00 H new ATOM 0 HB2 PHE A 39 2.681 -1.199 4.385 1.00 0.00 H new ATOM 0 HB3 PHE A 39 1.844 0.340 4.418 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.865 -2.661 2.429 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -0.010 -0.183 5.784 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.282 -3.826 2.725 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -2.152 -1.346 6.084 1.00 0.00 H new ATOM 0 HZ PHE A 39 -2.793 -3.166 4.557 1.00 0.00 H new ATOM 637 N TYR A 40 3.838 1.465 2.573 1.00 0.00 N ATOM 638 CA TYR A 40 4.290 2.845 2.368 1.00 0.00 C ATOM 639 C TYR A 40 4.102 3.258 0.908 1.00 0.00 C ATOM 640 O TYR A 40 3.153 3.975 0.556 1.00 0.00 O ATOM 641 CB TYR A 40 5.763 2.981 2.765 1.00 0.00 C ATOM 642 CG TYR A 40 6.006 4.014 3.843 1.00 0.00 C ATOM 643 CD1 TYR A 40 5.416 3.889 5.095 1.00 0.00 C ATOM 644 CD2 TYR A 40 6.823 5.112 3.609 1.00 0.00 C ATOM 645 CE1 TYR A 40 5.635 4.830 6.083 1.00 0.00 C ATOM 646 CE2 TYR A 40 7.047 6.057 4.593 1.00 0.00 C ATOM 647 CZ TYR A 40 6.451 5.911 5.827 1.00 0.00 C ATOM 648 OH TYR A 40 6.671 6.850 6.809 1.00 0.00 O ATOM 0 H TYR A 40 4.522 0.857 3.024 1.00 0.00 H new ATOM 0 HA TYR A 40 3.690 3.503 2.997 1.00 0.00 H new ATOM 0 HB2 TYR A 40 6.128 2.014 3.111 1.00 0.00 H new ATOM 0 HB3 TYR A 40 6.346 3.245 1.882 1.00 0.00 H new ATOM 0 HD1 TYR A 40 4.776 3.043 5.299 1.00 0.00 H new ATOM 0 HD2 TYR A 40 7.291 5.230 2.643 1.00 0.00 H new ATOM 0 HE1 TYR A 40 5.169 4.719 7.051 1.00 0.00 H new ATOM 0 HE2 TYR A 40 7.686 6.905 4.396 1.00 0.00 H new ATOM 0 HH TYR A 40 7.270 7.546 6.467 1.00 0.00 H new ATOM 658 N LEU A 41 4.997 2.779 0.051 1.00 0.00 N ATOM 659 CA LEU A 41 4.913 3.073 -1.372 1.00 0.00 C ATOM 660 C LEU A 41 3.477 2.896 -1.841 1.00 0.00 C ATOM 661 O LEU A 41 2.999 3.610 -2.719 1.00 0.00 O ATOM 662 CB LEU A 41 5.839 2.152 -2.162 1.00 0.00 C ATOM 663 CG LEU A 41 5.293 0.745 -2.421 1.00 0.00 C ATOM 664 CD1 LEU A 41 6.218 -0.012 -3.360 1.00 0.00 C ATOM 665 CD2 LEU A 41 5.137 -0.013 -1.114 1.00 0.00 C ATOM 0 H LEU A 41 5.785 2.188 0.317 1.00 0.00 H new ATOM 0 HA LEU A 41 5.226 4.103 -1.542 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.060 2.621 -3.121 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.783 2.065 -1.625 1.00 0.00 H new ATOM 0 HG LEU A 41 4.313 0.834 -2.889 1.00 0.00 H new ATOM 0 HD11 LEU A 41 5.819 -1.011 -3.537 1.00 0.00 H new ATOM 0 HD12 LEU A 41 6.291 0.522 -4.307 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.208 -0.091 -2.910 1.00 0.00 H new ATOM 0 HD21 LEU A 41 4.748 -1.011 -1.316 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.107 -0.094 -0.623 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.444 0.521 -0.464 1.00 0.00 H new ATOM 677 N TYR A 42 2.783 1.949 -1.223 1.00 0.00 N ATOM 678 CA TYR A 42 1.400 1.704 -1.557 1.00 0.00 C ATOM 679 C TYR A 42 0.573 2.936 -1.183 1.00 0.00 C ATOM 680 O TYR A 42 -0.223 3.435 -1.975 1.00 0.00 O ATOM 681 CB TYR A 42 0.889 0.443 -0.843 1.00 0.00 C ATOM 682 CG TYR A 42 -0.592 0.470 -0.509 1.00 0.00 C ATOM 683 CD1 TYR A 42 -1.475 1.138 -1.335 1.00 0.00 C ATOM 684 CD2 TYR A 42 -1.102 -0.151 0.623 1.00 0.00 C ATOM 685 CE1 TYR A 42 -2.812 1.203 -1.064 1.00 0.00 C ATOM 686 CE2 TYR A 42 -2.455 -0.096 0.911 1.00 0.00 C ATOM 687 CZ TYR A 42 -3.307 0.587 0.064 1.00 0.00 C ATOM 688 OH TYR A 42 -4.652 0.647 0.344 1.00 0.00 O ATOM 0 H TYR A 42 3.159 1.345 -0.492 1.00 0.00 H new ATOM 0 HA TYR A 42 1.303 1.528 -2.628 1.00 0.00 H new ATOM 0 HB2 TYR A 42 1.092 -0.424 -1.472 1.00 0.00 H new ATOM 0 HB3 TYR A 42 1.455 0.307 0.079 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -1.096 1.624 -2.222 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -0.436 -0.683 1.286 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -3.477 1.734 -1.730 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -2.843 -0.584 1.793 1.00 0.00 H new ATOM 0 HH TYR A 42 -5.128 -0.019 -0.194 1.00 0.00 H new ATOM 698 N MET A 43 0.777 3.447 0.019 1.00 0.00 N ATOM 699 CA MET A 43 0.055 4.632 0.460 1.00 0.00 C ATOM 700 C MET A 43 0.024 5.676 -0.649 1.00 0.00 C ATOM 701 O MET A 43 -0.903 6.480 -0.732 1.00 0.00 O ATOM 702 CB MET A 43 0.691 5.202 1.726 1.00 0.00 C ATOM 703 CG MET A 43 0.480 4.340 2.965 1.00 0.00 C ATOM 704 SD MET A 43 -1.233 3.804 3.174 1.00 0.00 S ATOM 705 CE MET A 43 -1.324 2.463 1.985 1.00 0.00 C ATOM 0 H MET A 43 1.430 3.065 0.703 1.00 0.00 H new ATOM 0 HA MET A 43 -0.972 4.350 0.692 1.00 0.00 H new ATOM 0 HB2 MET A 43 1.761 5.326 1.559 1.00 0.00 H new ATOM 0 HB3 MET A 43 0.281 6.195 1.912 1.00 0.00 H new ATOM 0 HG2 MET A 43 1.124 3.463 2.904 1.00 0.00 H new ATOM 0 HG3 MET A 43 0.789 4.901 3.847 1.00 0.00 H new ATOM 0 HE1 MET A 43 -2.019 1.704 2.345 1.00 0.00 H new ATOM 0 HE2 MET A 43 -1.673 2.849 1.027 1.00 0.00 H new ATOM 0 HE3 MET A 43 -0.336 2.020 1.860 1.00 0.00 H new ATOM 715 N LEU A 44 1.038 5.648 -1.509 1.00 0.00 N ATOM 716 CA LEU A 44 1.106 6.589 -2.621 1.00 0.00 C ATOM 717 C LEU A 44 0.281 6.119 -3.821 1.00 0.00 C ATOM 718 O LEU A 44 -0.374 6.931 -4.474 1.00 0.00 O ATOM 719 CB LEU A 44 2.544 6.823 -3.068 1.00 0.00 C ATOM 720 CG LEU A 44 3.635 6.427 -2.077 1.00 0.00 C ATOM 721 CD1 LEU A 44 4.966 7.017 -2.507 1.00 0.00 C ATOM 722 CD2 LEU A 44 3.286 6.879 -0.664 1.00 0.00 C ATOM 0 H LEU A 44 1.816 4.991 -1.458 1.00 0.00 H new ATOM 0 HA LEU A 44 0.687 7.525 -2.252 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.708 6.273 -3.994 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.662 7.881 -3.301 1.00 0.00 H new ATOM 0 HG LEU A 44 3.712 5.340 -2.071 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.739 6.729 -1.794 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.227 6.642 -3.497 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.889 8.104 -2.540 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.082 6.583 0.020 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.177 7.963 -0.645 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.350 6.415 -0.354 1.00 0.00 H new ATOM 734 N VAL A 45 0.299 4.814 -4.117 1.00 0.00 N ATOM 735 CA VAL A 45 -0.478 4.302 -5.253 1.00 0.00 C ATOM 736 C VAL A 45 -1.929 4.654 -5.055 1.00 0.00 C ATOM 737 O VAL A 45 -2.669 4.860 -6.011 1.00 0.00 O ATOM 738 CB VAL A 45 -0.378 2.776 -5.441 1.00 0.00 C ATOM 739 CG1 VAL A 45 -0.478 2.068 -4.131 1.00 0.00 C ATOM 740 CG2 VAL A 45 -1.472 2.279 -6.365 1.00 0.00 C ATOM 0 H VAL A 45 0.827 4.110 -3.602 1.00 0.00 H new ATOM 0 HA VAL A 45 -0.057 4.767 -6.145 1.00 0.00 H new ATOM 0 HB VAL A 45 0.594 2.562 -5.885 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.405 0.992 -4.292 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.332 2.393 -3.479 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -1.435 2.300 -3.664 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.384 1.199 -6.485 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -2.446 2.519 -5.938 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -1.374 2.761 -7.338 1.00 0.00 H new ATOM 750 N GLN A 46 -2.316 4.721 -3.791 1.00 0.00 N ATOM 751 CA GLN A 46 -3.687 5.066 -3.415 1.00 0.00 C ATOM 752 C GLN A 46 -4.211 6.171 -4.325 1.00 0.00 C ATOM 753 O GLN A 46 -5.396 6.213 -4.655 1.00 0.00 O ATOM 754 CB GLN A 46 -3.747 5.518 -1.955 1.00 0.00 C ATOM 755 CG GLN A 46 -4.010 4.385 -0.976 1.00 0.00 C ATOM 756 CD GLN A 46 -4.976 4.778 0.124 1.00 0.00 C ATOM 757 OE1 GLN A 46 -5.069 5.948 0.497 1.00 0.00 O ATOM 758 NE2 GLN A 46 -5.703 3.799 0.651 1.00 0.00 N ATOM 0 H GLN A 46 -1.698 4.540 -3.000 1.00 0.00 H new ATOM 0 HA GLN A 46 -4.312 4.181 -3.528 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -2.805 6.001 -1.694 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -4.530 6.268 -1.848 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -4.411 3.528 -1.517 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -3.067 4.068 -0.530 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -5.594 2.843 0.312 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -6.370 4.003 1.395 1.00 0.00 H new ATOM 767 N LYS A 47 -3.299 7.045 -4.756 1.00 0.00 N ATOM 768 CA LYS A 47 -3.639 8.131 -5.664 1.00 0.00 C ATOM 769 C LYS A 47 -4.468 7.577 -6.819 1.00 0.00 C ATOM 770 O LYS A 47 -5.352 8.248 -7.351 1.00 0.00 O ATOM 771 CB LYS A 47 -2.343 8.814 -6.154 1.00 0.00 C ATOM 772 CG LYS A 47 -2.281 9.147 -7.645 1.00 0.00 C ATOM 773 CD LYS A 47 -3.457 10.009 -8.084 1.00 0.00 C ATOM 774 CE LYS A 47 -3.018 11.426 -8.426 1.00 0.00 C ATOM 775 NZ LYS A 47 -3.205 11.738 -9.871 1.00 0.00 N ATOM 0 H LYS A 47 -2.316 7.017 -4.486 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.238 8.886 -5.154 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.207 9.737 -5.590 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.501 8.166 -5.912 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.348 9.668 -7.862 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.272 8.223 -8.223 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.936 9.557 -8.952 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.202 10.040 -7.289 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.587 12.136 -7.826 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.968 11.554 -8.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.371 12.248 -10.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.324 10.853 -10.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.051 12.331 -9.991 1.00 0.00 H new ATOM 789 N PHE A 48 -4.190 6.329 -7.175 1.00 0.00 N ATOM 790 CA PHE A 48 -4.914 5.661 -8.232 1.00 0.00 C ATOM 791 C PHE A 48 -5.889 4.648 -7.656 1.00 0.00 C ATOM 792 O PHE A 48 -7.035 4.552 -8.096 1.00 0.00 O ATOM 793 CB PHE A 48 -3.955 4.995 -9.210 1.00 0.00 C ATOM 794 CG PHE A 48 -4.171 5.473 -10.616 1.00 0.00 C ATOM 795 CD1 PHE A 48 -5.447 5.520 -11.156 1.00 0.00 C ATOM 796 CD2 PHE A 48 -3.108 5.903 -11.385 1.00 0.00 C ATOM 797 CE1 PHE A 48 -5.655 5.985 -12.439 1.00 0.00 C ATOM 798 CE2 PHE A 48 -3.308 6.366 -12.672 1.00 0.00 C ATOM 799 CZ PHE A 48 -4.584 6.408 -13.200 1.00 0.00 C ATOM 0 H PHE A 48 -3.462 5.762 -6.740 1.00 0.00 H new ATOM 0 HA PHE A 48 -5.485 6.411 -8.779 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -2.928 5.202 -8.910 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -4.087 3.914 -9.169 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.289 5.189 -10.566 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -2.109 5.877 -10.976 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -6.655 6.018 -12.847 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -2.467 6.695 -13.265 1.00 0.00 H new ATOM 0 HZ PHE A 48 -4.743 6.771 -14.205 1.00 0.00 H new ATOM 809 N GLY A 49 -5.424 3.883 -6.675 1.00 0.00 N ATOM 810 CA GLY A 49 -6.261 2.877 -6.062 1.00 0.00 C ATOM 811 C GLY A 49 -6.171 1.575 -6.812 1.00 0.00 C ATOM 812 O GLY A 49 -6.170 0.497 -6.218 1.00 0.00 O ATOM 0 H GLY A 49 -4.480 3.944 -6.295 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -5.957 2.727 -5.026 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -7.295 3.220 -6.044 1.00 0.00 H new ATOM 816 N GLY A 50 -6.064 1.686 -8.127 1.00 0.00 N ATOM 817 CA GLY A 50 -5.937 0.518 -8.956 1.00 0.00 C ATOM 818 C GLY A 50 -4.499 0.307 -9.357 1.00 0.00 C ATOM 819 O GLY A 50 -3.999 0.961 -10.270 1.00 0.00 O ATOM 0 H GLY A 50 -6.063 2.572 -8.632 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.303 -0.357 -8.419 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -6.556 0.628 -9.846 1.00 0.00 H new ATOM 823 N ALA A 51 -3.824 -0.584 -8.646 1.00 0.00 N ATOM 824 CA ALA A 51 -2.419 -0.866 -8.898 1.00 0.00 C ATOM 825 C ALA A 51 -2.098 -0.946 -10.388 1.00 0.00 C ATOM 826 O ALA A 51 -1.188 -0.273 -10.872 1.00 0.00 O ATOM 827 CB ALA A 51 -2.014 -2.144 -8.203 1.00 0.00 C ATOM 0 H ALA A 51 -4.230 -1.128 -7.885 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.844 -0.033 -8.493 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.961 -2.346 -8.398 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.171 -2.040 -7.129 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.618 -2.970 -8.579 1.00 0.00 H new ATOM 833 N ASP A 52 -2.845 -1.774 -11.106 1.00 0.00 N ATOM 834 CA ASP A 52 -2.636 -1.949 -12.539 1.00 0.00 C ATOM 835 C ASP A 52 -2.895 -0.657 -13.312 1.00 0.00 C ATOM 836 O ASP A 52 -2.500 -0.535 -14.472 1.00 0.00 O ATOM 837 CB ASP A 52 -3.541 -3.063 -13.069 1.00 0.00 C ATOM 838 CG ASP A 52 -2.781 -4.078 -13.901 1.00 0.00 C ATOM 839 OD1 ASP A 52 -2.046 -3.662 -14.820 1.00 0.00 O ATOM 840 OD2 ASP A 52 -2.923 -5.290 -13.633 1.00 0.00 O ATOM 0 H ASP A 52 -3.603 -2.337 -10.719 1.00 0.00 H new ATOM 0 HA ASP A 52 -1.592 -2.223 -12.689 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.019 -3.569 -12.230 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.336 -2.625 -13.672 1.00 0.00 H new ATOM 845 N GLN A 53 -3.542 0.312 -12.669 1.00 0.00 N ATOM 846 CA GLN A 53 -3.822 1.586 -13.304 1.00 0.00 C ATOM 847 C GLN A 53 -2.710 2.561 -12.987 1.00 0.00 C ATOM 848 O GLN A 53 -2.372 3.438 -13.782 1.00 0.00 O ATOM 849 CB GLN A 53 -5.165 2.136 -12.829 1.00 0.00 C ATOM 850 CG GLN A 53 -5.657 3.311 -13.651 1.00 0.00 C ATOM 851 CD GLN A 53 -6.106 2.903 -15.041 1.00 0.00 C ATOM 852 OE1 GLN A 53 -6.437 1.742 -15.282 1.00 0.00 O ATOM 853 NE2 GLN A 53 -6.119 3.858 -15.963 1.00 0.00 N ATOM 0 H GLN A 53 -3.880 0.234 -11.710 1.00 0.00 H new ATOM 0 HA GLN A 53 -3.877 1.443 -14.383 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.909 1.340 -12.865 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -5.076 2.443 -11.787 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -6.486 3.791 -13.132 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -4.861 4.051 -13.733 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -5.836 4.807 -15.718 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -6.412 3.643 -16.916 1.00 0.00 H new ATOM 862 N VAL A 54 -2.160 2.394 -11.794 1.00 0.00 N ATOM 863 CA VAL A 54 -1.095 3.238 -11.311 1.00 0.00 C ATOM 864 C VAL A 54 0.264 2.772 -11.795 1.00 0.00 C ATOM 865 O VAL A 54 1.281 3.414 -11.550 1.00 0.00 O ATOM 866 CB VAL A 54 -1.122 3.306 -9.780 1.00 0.00 C ATOM 867 CG1 VAL A 54 -0.588 2.063 -9.092 1.00 0.00 C ATOM 868 CG2 VAL A 54 -0.361 4.501 -9.326 1.00 0.00 C ATOM 0 H VAL A 54 -2.445 1.667 -11.138 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.260 4.236 -11.717 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.171 3.378 -9.494 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.642 2.194 -8.011 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.187 1.200 -9.384 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.449 1.901 -9.386 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.379 4.552 -8.237 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.671 4.427 -9.669 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.817 5.401 -9.739 1.00 0.00 H new ATOM 878 N THR A 55 0.258 1.655 -12.483 1.00 0.00 N ATOM 879 CA THR A 55 1.474 1.068 -13.022 1.00 0.00 C ATOM 880 C THR A 55 1.987 1.843 -14.223 1.00 0.00 C ATOM 881 O THR A 55 3.184 2.082 -14.369 1.00 0.00 O ATOM 882 CB THR A 55 1.223 -0.380 -13.412 1.00 0.00 C ATOM 883 OG1 THR A 55 0.033 -0.501 -14.171 1.00 0.00 O ATOM 884 CG2 THR A 55 1.103 -1.283 -12.216 1.00 0.00 C ATOM 0 H THR A 55 -0.588 1.123 -12.688 1.00 0.00 H new ATOM 0 HA THR A 55 2.237 1.112 -12.244 1.00 0.00 H new ATOM 0 HB THR A 55 2.087 -0.685 -14.003 1.00 0.00 H new ATOM 0 HG1 THR A 55 -0.107 -1.441 -14.412 1.00 0.00 H new ATOM 0 HG21 THR A 55 0.924 -2.306 -12.549 1.00 0.00 H new ATOM 0 HG22 THR A 55 2.026 -1.246 -11.638 1.00 0.00 H new ATOM 0 HG23 THR A 55 0.271 -0.953 -11.593 1.00 0.00 H new ATOM 892 N ARG A 56 1.065 2.212 -15.084 1.00 0.00 N ATOM 893 CA ARG A 56 1.395 2.950 -16.301 1.00 0.00 C ATOM 894 C ARG A 56 0.981 4.418 -16.202 1.00 0.00 C ATOM 895 O ARG A 56 0.330 4.950 -17.102 1.00 0.00 O ATOM 896 CB ARG A 56 0.718 2.300 -17.510 1.00 0.00 C ATOM 897 CG ARG A 56 -0.786 2.142 -17.353 1.00 0.00 C ATOM 898 CD ARG A 56 -1.160 0.720 -16.968 1.00 0.00 C ATOM 899 NE ARG A 56 -2.605 0.503 -17.008 1.00 0.00 N ATOM 900 CZ ARG A 56 -3.307 0.395 -18.133 1.00 0.00 C ATOM 901 NH1 ARG A 56 -2.704 0.482 -19.311 1.00 0.00 N ATOM 902 NH2 ARG A 56 -4.618 0.197 -18.080 1.00 0.00 N ATOM 0 H ARG A 56 0.071 2.015 -14.970 1.00 0.00 H new ATOM 0 HA ARG A 56 2.477 2.915 -16.425 1.00 0.00 H new ATOM 0 HB2 ARG A 56 0.921 2.901 -18.396 1.00 0.00 H new ATOM 0 HB3 ARG A 56 1.162 1.319 -17.681 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -1.148 2.833 -16.592 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -1.280 2.409 -18.287 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -0.670 0.020 -17.645 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -0.789 0.507 -15.966 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.104 0.430 -16.122 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -1.696 0.633 -19.358 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.248 0.398 -20.170 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -5.087 0.128 -17.177 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -5.157 0.114 -18.942 1.00 0.00 H new ATOM 916 N THR A 57 1.361 5.070 -15.107 1.00 0.00 N ATOM 917 CA THR A 57 1.021 6.478 -14.906 1.00 0.00 C ATOM 918 C THR A 57 2.207 7.265 -14.338 1.00 0.00 C ATOM 919 O THR A 57 3.363 6.901 -14.555 1.00 0.00 O ATOM 920 CB THR A 57 -0.178 6.587 -13.972 1.00 0.00 C ATOM 921 OG1 THR A 57 -0.588 7.940 -13.828 1.00 0.00 O ATOM 922 CG2 THR A 57 0.109 6.035 -12.598 1.00 0.00 C ATOM 0 H THR A 57 1.901 4.651 -14.349 1.00 0.00 H new ATOM 0 HA THR A 57 0.770 6.910 -15.875 1.00 0.00 H new ATOM 0 HB THR A 57 -0.970 5.995 -14.431 1.00 0.00 H new ATOM 0 HG1 THR A 57 -1.449 8.071 -14.278 1.00 0.00 H new ATOM 0 HG21 THR A 57 -0.778 6.137 -11.972 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.377 4.982 -12.678 1.00 0.00 H new ATOM 0 HG23 THR A 57 0.935 6.587 -12.149 1.00 0.00 H new ATOM 930 N GLN A 58 1.912 8.352 -13.619 1.00 0.00 N ATOM 931 CA GLN A 58 2.953 9.192 -13.035 1.00 0.00 C ATOM 932 C GLN A 58 3.093 8.959 -11.532 1.00 0.00 C ATOM 933 O GLN A 58 4.207 8.882 -11.014 1.00 0.00 O ATOM 934 CB GLN A 58 2.655 10.667 -13.308 1.00 0.00 C ATOM 935 CG GLN A 58 2.899 11.079 -14.751 1.00 0.00 C ATOM 936 CD GLN A 58 3.378 12.512 -14.875 1.00 0.00 C ATOM 937 OE1 GLN A 58 4.545 12.813 -14.624 1.00 0.00 O ATOM 938 NE2 GLN A 58 2.477 13.406 -15.265 1.00 0.00 N ATOM 0 H GLN A 58 0.961 8.668 -13.429 1.00 0.00 H new ATOM 0 HA GLN A 58 3.898 8.918 -13.504 1.00 0.00 H new ATOM 0 HB2 GLN A 58 1.616 10.873 -13.051 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.273 11.281 -12.654 1.00 0.00 H new ATOM 0 HG2 GLN A 58 3.639 10.413 -15.195 1.00 0.00 H new ATOM 0 HG3 GLN A 58 1.978 10.957 -15.321 1.00 0.00 H new ATOM 0 HE21 GLN A 58 1.520 13.113 -15.463 1.00 0.00 H new ATOM 0 HE22 GLN A 58 2.742 14.386 -15.367 1.00 0.00 H new ATOM 947 N GLN A 59 1.965 8.850 -10.832 1.00 0.00 N ATOM 948 CA GLN A 59 1.987 8.629 -9.386 1.00 0.00 C ATOM 949 C GLN A 59 2.851 7.424 -9.027 1.00 0.00 C ATOM 950 O GLN A 59 3.357 7.315 -7.906 1.00 0.00 O ATOM 951 CB GLN A 59 0.568 8.439 -8.838 1.00 0.00 C ATOM 952 CG GLN A 59 -0.403 7.815 -9.827 1.00 0.00 C ATOM 953 CD GLN A 59 -1.343 8.828 -10.458 1.00 0.00 C ATOM 954 OE1 GLN A 59 -2.493 8.513 -10.763 1.00 0.00 O ATOM 955 NE2 GLN A 59 -0.862 10.052 -10.657 1.00 0.00 N ATOM 0 H GLN A 59 1.031 8.910 -11.238 1.00 0.00 H new ATOM 0 HA GLN A 59 2.422 9.516 -8.926 1.00 0.00 H new ATOM 0 HB2 GLN A 59 0.615 7.812 -7.948 1.00 0.00 H new ATOM 0 HB3 GLN A 59 0.178 9.408 -8.525 1.00 0.00 H new ATOM 0 HG2 GLN A 59 0.161 7.312 -10.613 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -0.990 7.051 -9.318 1.00 0.00 H new ATOM 0 HE21 GLN A 59 0.097 10.273 -10.390 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -1.453 10.770 -11.077 1.00 0.00 H new ATOM 964 N TRP A 60 3.029 6.517 -9.980 1.00 0.00 N ATOM 965 CA TRP A 60 3.840 5.336 -9.742 1.00 0.00 C ATOM 966 C TRP A 60 5.219 5.731 -9.265 1.00 0.00 C ATOM 967 O TRP A 60 5.776 5.111 -8.358 1.00 0.00 O ATOM 968 CB TRP A 60 3.948 4.487 -10.998 1.00 0.00 C ATOM 969 CG TRP A 60 3.683 3.031 -10.767 1.00 0.00 C ATOM 970 CD1 TRP A 60 3.963 2.026 -11.637 1.00 0.00 C ATOM 971 CD2 TRP A 60 3.085 2.410 -9.610 1.00 0.00 C ATOM 972 NE1 TRP A 60 3.553 0.824 -11.121 1.00 0.00 N ATOM 973 CE2 TRP A 60 3.024 1.030 -9.871 1.00 0.00 C ATOM 974 CE3 TRP A 60 2.591 2.880 -8.383 1.00 0.00 C ATOM 975 CZ2 TRP A 60 2.492 0.122 -8.956 1.00 0.00 C ATOM 976 CZ3 TRP A 60 2.068 1.978 -7.478 1.00 0.00 C ATOM 977 CH2 TRP A 60 2.022 0.612 -7.769 1.00 0.00 C ATOM 0 H TRP A 60 2.626 6.578 -10.915 1.00 0.00 H new ATOM 0 HA TRP A 60 3.352 4.744 -8.968 1.00 0.00 H new ATOM 0 HB2 TRP A 60 3.244 4.862 -11.741 1.00 0.00 H new ATOM 0 HB3 TRP A 60 4.947 4.603 -11.419 1.00 0.00 H new ATOM 0 HD1 TRP A 60 4.440 2.155 -12.597 1.00 0.00 H new ATOM 0 HE1 TRP A 60 3.629 -0.078 -11.590 1.00 0.00 H new ATOM 0 HE3 TRP A 60 2.620 3.934 -8.150 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 2.452 -0.934 -9.178 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 1.689 2.333 -6.531 1.00 0.00 H new ATOM 0 HH2 TRP A 60 1.607 -0.070 -7.042 1.00 0.00 H new ATOM 988 N SER A 61 5.760 6.785 -9.861 1.00 0.00 N ATOM 989 CA SER A 61 7.066 7.272 -9.464 1.00 0.00 C ATOM 990 C SER A 61 7.076 7.456 -7.953 1.00 0.00 C ATOM 991 O SER A 61 8.054 7.149 -7.284 1.00 0.00 O ATOM 992 CB SER A 61 7.390 8.592 -10.166 1.00 0.00 C ATOM 993 OG SER A 61 8.789 8.771 -10.297 1.00 0.00 O ATOM 0 H SER A 61 5.317 7.312 -10.613 1.00 0.00 H new ATOM 0 HA SER A 61 7.828 6.549 -9.754 1.00 0.00 H new ATOM 0 HB2 SER A 61 6.925 8.607 -11.152 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.966 9.422 -9.601 1.00 0.00 H new ATOM 0 HG SER A 61 8.969 9.621 -10.750 1.00 0.00 H new ATOM 999 N MET A 62 5.947 7.920 -7.419 1.00 0.00 N ATOM 1000 CA MET A 62 5.804 8.102 -5.980 1.00 0.00 C ATOM 1001 C MET A 62 6.084 6.778 -5.277 1.00 0.00 C ATOM 1002 O MET A 62 6.989 6.679 -4.450 1.00 0.00 O ATOM 1003 CB MET A 62 4.395 8.597 -5.633 1.00 0.00 C ATOM 1004 CG MET A 62 3.902 9.735 -6.514 1.00 0.00 C ATOM 1005 SD MET A 62 2.243 10.287 -6.067 1.00 0.00 S ATOM 1006 CE MET A 62 1.388 8.721 -5.891 1.00 0.00 C ATOM 0 H MET A 62 5.122 8.175 -7.961 1.00 0.00 H new ATOM 0 HA MET A 62 6.518 8.853 -5.644 1.00 0.00 H new ATOM 0 HB2 MET A 62 3.698 7.762 -5.712 1.00 0.00 H new ATOM 0 HB3 MET A 62 4.382 8.925 -4.594 1.00 0.00 H new ATOM 0 HG2 MET A 62 4.593 10.574 -6.438 1.00 0.00 H new ATOM 0 HG3 MET A 62 3.906 9.412 -7.555 1.00 0.00 H new ATOM 0 HE1 MET A 62 0.363 8.824 -6.246 1.00 0.00 H new ATOM 0 HE2 MET A 62 1.900 7.959 -6.478 1.00 0.00 H new ATOM 0 HE3 MET A 62 1.381 8.426 -4.842 1.00 0.00 H new ATOM 1016 N VAL A 63 5.319 5.752 -5.649 1.00 0.00 N ATOM 1017 CA VAL A 63 5.501 4.412 -5.092 1.00 0.00 C ATOM 1018 C VAL A 63 6.923 3.937 -5.404 1.00 0.00 C ATOM 1019 O VAL A 63 7.808 3.910 -4.533 1.00 0.00 O ATOM 1020 CB VAL A 63 4.465 3.427 -5.700 1.00 0.00 C ATOM 1021 CG1 VAL A 63 4.692 2.005 -5.227 1.00 0.00 C ATOM 1022 CG2 VAL A 63 3.048 3.853 -5.369 1.00 0.00 C ATOM 0 H VAL A 63 4.567 5.823 -6.334 1.00 0.00 H new ATOM 0 HA VAL A 63 5.349 4.443 -4.013 1.00 0.00 H new ATOM 0 HB VAL A 63 4.603 3.454 -6.781 1.00 0.00 H new ATOM 0 HG11 VAL A 63 3.946 1.349 -5.676 1.00 0.00 H new ATOM 0 HG12 VAL A 63 5.689 1.678 -5.523 1.00 0.00 H new ATOM 0 HG13 VAL A 63 4.605 1.964 -4.141 1.00 0.00 H new ATOM 0 HG21 VAL A 63 2.344 3.146 -5.807 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.917 3.872 -4.287 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.863 4.848 -5.775 1.00 0.00 H new ATOM 1032 N ALA A 64 7.124 3.579 -6.668 1.00 0.00 N ATOM 1033 CA ALA A 64 8.419 3.118 -7.172 1.00 0.00 C ATOM 1034 C ALA A 64 9.608 3.897 -6.589 1.00 0.00 C ATOM 1035 O ALA A 64 10.651 3.314 -6.316 1.00 0.00 O ATOM 1036 CB ALA A 64 8.440 3.233 -8.689 1.00 0.00 C ATOM 0 H ALA A 64 6.391 3.600 -7.377 1.00 0.00 H new ATOM 0 HA ALA A 64 8.531 2.081 -6.856 1.00 0.00 H new ATOM 0 HB1 ALA A 64 9.403 2.890 -9.067 1.00 0.00 H new ATOM 0 HB2 ALA A 64 7.645 2.618 -9.112 1.00 0.00 H new ATOM 0 HB3 ALA A 64 8.287 4.273 -8.977 1.00 0.00 H new ATOM 1042 N GLN A 65 9.471 5.209 -6.417 1.00 0.00 N ATOM 1043 CA GLN A 65 10.579 6.008 -5.883 1.00 0.00 C ATOM 1044 C GLN A 65 10.580 6.025 -4.358 1.00 0.00 C ATOM 1045 O GLN A 65 11.612 6.279 -3.736 1.00 0.00 O ATOM 1046 CB GLN A 65 10.537 7.443 -6.416 1.00 0.00 C ATOM 1047 CG GLN A 65 10.610 7.532 -7.933 1.00 0.00 C ATOM 1048 CD GLN A 65 11.920 8.115 -8.423 1.00 0.00 C ATOM 1049 OE1 GLN A 65 12.979 7.863 -7.848 1.00 0.00 O ATOM 1050 NE2 GLN A 65 11.855 8.901 -9.492 1.00 0.00 N ATOM 0 H GLN A 65 8.625 5.736 -6.633 1.00 0.00 H new ATOM 0 HA GLN A 65 11.500 5.533 -6.222 1.00 0.00 H new ATOM 0 HB2 GLN A 65 9.618 7.921 -6.076 1.00 0.00 H new ATOM 0 HB3 GLN A 65 11.366 8.005 -5.987 1.00 0.00 H new ATOM 0 HG2 GLN A 65 10.479 6.537 -8.358 1.00 0.00 H new ATOM 0 HG3 GLN A 65 9.786 8.145 -8.297 1.00 0.00 H new ATOM 0 HE21 GLN A 65 10.956 9.083 -9.937 1.00 0.00 H new ATOM 0 HE22 GLN A 65 12.705 9.323 -9.867 1.00 0.00 H new ATOM 1059 N ARG A 66 9.427 5.758 -3.755 1.00 0.00 N ATOM 1060 CA ARG A 66 9.318 5.749 -2.301 1.00 0.00 C ATOM 1061 C ARG A 66 10.312 4.780 -1.684 1.00 0.00 C ATOM 1062 O ARG A 66 11.034 5.125 -0.748 1.00 0.00 O ATOM 1063 CB ARG A 66 7.906 5.366 -1.869 1.00 0.00 C ATOM 1064 CG ARG A 66 7.297 6.345 -0.880 1.00 0.00 C ATOM 1065 CD ARG A 66 8.159 6.494 0.363 1.00 0.00 C ATOM 1066 NE ARG A 66 7.565 7.414 1.332 1.00 0.00 N ATOM 1067 CZ ARG A 66 8.261 8.066 2.261 1.00 0.00 C ATOM 1068 NH1 ARG A 66 9.575 7.902 2.357 1.00 0.00 N ATOM 1069 NH2 ARG A 66 7.640 8.886 3.099 1.00 0.00 N ATOM 0 H ARG A 66 8.559 5.546 -4.247 1.00 0.00 H new ATOM 0 HA ARG A 66 9.542 6.756 -1.950 1.00 0.00 H new ATOM 0 HB2 ARG A 66 7.267 5.305 -2.750 1.00 0.00 H new ATOM 0 HB3 ARG A 66 7.927 4.373 -1.421 1.00 0.00 H new ATOM 0 HG2 ARG A 66 7.175 7.317 -1.358 1.00 0.00 H new ATOM 0 HG3 ARG A 66 6.302 6.003 -0.595 1.00 0.00 H new ATOM 0 HD2 ARG A 66 8.298 5.518 0.827 1.00 0.00 H new ATOM 0 HD3 ARG A 66 9.147 6.855 0.078 1.00 0.00 H new ATOM 0 HE ARG A 66 6.557 7.565 1.294 1.00 0.00 H new ATOM 0 HH11 ARG A 66 10.059 7.273 1.716 1.00 0.00 H new ATOM 0 HH12 ARG A 66 10.101 8.405 3.072 1.00 0.00 H new ATOM 0 HH21 ARG A 66 6.631 9.016 3.031 1.00 0.00 H new ATOM 0 HH22 ARG A 66 8.172 9.386 3.811 1.00 0.00 H new ATOM 1083 N LEU A 67 10.339 3.560 -2.206 1.00 0.00 N ATOM 1084 CA LEU A 67 11.248 2.543 -1.684 1.00 0.00 C ATOM 1085 C LEU A 67 12.609 2.582 -2.384 1.00 0.00 C ATOM 1086 O LEU A 67 13.355 1.605 -2.363 1.00 0.00 O ATOM 1087 CB LEU A 67 10.626 1.149 -1.797 1.00 0.00 C ATOM 1088 CG LEU A 67 10.563 0.569 -3.207 1.00 0.00 C ATOM 1089 CD1 LEU A 67 10.459 -0.947 -3.154 1.00 0.00 C ATOM 1090 CD2 LEU A 67 9.387 1.157 -3.970 1.00 0.00 C ATOM 0 H LEU A 67 9.751 3.252 -2.980 1.00 0.00 H new ATOM 0 HA LEU A 67 11.414 2.767 -0.630 1.00 0.00 H new ATOM 0 HB2 LEU A 67 11.194 0.465 -1.167 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.614 1.188 -1.394 1.00 0.00 H new ATOM 0 HG LEU A 67 11.481 0.833 -3.731 1.00 0.00 H new ATOM 0 HD11 LEU A 67 10.415 -1.344 -4.168 1.00 0.00 H new ATOM 0 HD12 LEU A 67 11.331 -1.354 -2.642 1.00 0.00 H new ATOM 0 HD13 LEU A 67 9.556 -1.231 -2.614 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.356 0.733 -4.974 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.460 0.921 -3.448 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.501 2.239 -4.036 1.00 0.00 H new ATOM 1102 N GLN A 68 12.930 3.724 -2.991 1.00 0.00 N ATOM 1103 CA GLN A 68 14.206 3.905 -3.681 1.00 0.00 C ATOM 1104 C GLN A 68 14.524 2.727 -4.597 1.00 0.00 C ATOM 1105 O GLN A 68 15.575 2.097 -4.476 1.00 0.00 O ATOM 1106 CB GLN A 68 15.333 4.095 -2.663 1.00 0.00 C ATOM 1107 CG GLN A 68 15.602 5.551 -2.317 1.00 0.00 C ATOM 1108 CD GLN A 68 16.495 6.237 -3.333 1.00 0.00 C ATOM 1109 OE1 GLN A 68 17.720 6.214 -3.215 1.00 0.00 O ATOM 1110 NE2 GLN A 68 15.883 6.853 -4.338 1.00 0.00 N ATOM 0 H GLN A 68 12.320 4.541 -3.019 1.00 0.00 H new ATOM 0 HA GLN A 68 14.123 4.797 -4.302 1.00 0.00 H new ATOM 0 HB2 GLN A 68 15.082 3.554 -1.751 1.00 0.00 H new ATOM 0 HB3 GLN A 68 16.246 3.649 -3.057 1.00 0.00 H new ATOM 0 HG2 GLN A 68 14.655 6.086 -2.252 1.00 0.00 H new ATOM 0 HG3 GLN A 68 16.068 5.607 -1.333 1.00 0.00 H new ATOM 0 HE21 GLN A 68 14.865 6.846 -4.396 1.00 0.00 H new ATOM 0 HE22 GLN A 68 16.431 7.333 -5.052 1.00 0.00 H new ATOM 1119 N ILE A 69 13.611 2.437 -5.514 1.00 0.00 N ATOM 1120 CA ILE A 69 13.802 1.334 -6.449 1.00 0.00 C ATOM 1121 C ILE A 69 13.731 1.813 -7.900 1.00 0.00 C ATOM 1122 O ILE A 69 14.493 1.352 -8.750 1.00 0.00 O ATOM 1123 CB ILE A 69 12.765 0.214 -6.217 1.00 0.00 C ATOM 1124 CG1 ILE A 69 12.885 -0.866 -7.292 1.00 0.00 C ATOM 1125 CG2 ILE A 69 11.358 0.786 -6.191 1.00 0.00 C ATOM 1126 CD1 ILE A 69 11.913 -2.011 -7.109 1.00 0.00 C ATOM 0 H ILE A 69 12.735 2.946 -5.631 1.00 0.00 H new ATOM 0 HA ILE A 69 14.798 0.931 -6.265 1.00 0.00 H new ATOM 0 HB ILE A 69 12.969 -0.244 -5.249 1.00 0.00 H new ATOM 0 HG12 ILE A 69 12.721 -0.414 -8.270 1.00 0.00 H new ATOM 0 HG13 ILE A 69 13.902 -1.259 -7.289 1.00 0.00 H new ATOM 0 HG21 ILE A 69 10.641 -0.018 -6.026 1.00 0.00 H new ATOM 0 HG22 ILE A 69 11.277 1.515 -5.385 1.00 0.00 H new ATOM 0 HG23 ILE A 69 11.145 1.272 -7.143 1.00 0.00 H new ATOM 0 HD11 ILE A 69 12.055 -2.740 -7.907 1.00 0.00 H new ATOM 0 HD12 ILE A 69 12.091 -2.489 -6.146 1.00 0.00 H new ATOM 0 HD13 ILE A 69 10.892 -1.630 -7.142 1.00 0.00 H new ATOM 1138 N SER A 70 12.819 2.738 -8.177 1.00 0.00 N ATOM 1139 CA SER A 70 12.659 3.273 -9.526 1.00 0.00 C ATOM 1140 C SER A 70 12.313 2.165 -10.517 1.00 0.00 C ATOM 1141 O SER A 70 12.641 2.251 -11.701 1.00 0.00 O ATOM 1142 CB SER A 70 13.937 3.988 -9.968 1.00 0.00 C ATOM 1143 OG SER A 70 13.657 4.986 -10.934 1.00 0.00 O ATOM 0 H SER A 70 12.180 3.133 -7.487 1.00 0.00 H new ATOM 0 HA SER A 70 11.837 3.988 -9.510 1.00 0.00 H new ATOM 0 HB2 SER A 70 14.421 4.441 -9.103 1.00 0.00 H new ATOM 0 HB3 SER A 70 14.638 3.263 -10.382 1.00 0.00 H new ATOM 0 HG SER A 70 13.147 4.592 -11.673 1.00 0.00 H new ATOM 1149 N ASP A 71 11.651 1.125 -10.023 1.00 0.00 N ATOM 1150 CA ASP A 71 11.257 -0.006 -10.857 1.00 0.00 C ATOM 1151 C ASP A 71 9.742 -0.198 -10.816 1.00 0.00 C ATOM 1152 O ASP A 71 9.259 -1.211 -10.316 1.00 0.00 O ATOM 1153 CB ASP A 71 11.964 -1.276 -10.372 1.00 0.00 C ATOM 1154 CG ASP A 71 12.054 -2.338 -11.450 1.00 0.00 C ATOM 1155 OD1 ASP A 71 11.066 -3.079 -11.638 1.00 0.00 O ATOM 1156 OD2 ASP A 71 13.113 -2.430 -12.106 1.00 0.00 O ATOM 0 H ASP A 71 11.375 1.041 -9.045 1.00 0.00 H new ATOM 0 HA ASP A 71 11.550 0.196 -11.887 1.00 0.00 H new ATOM 0 HB2 ASP A 71 12.968 -1.022 -10.032 1.00 0.00 H new ATOM 0 HB3 ASP A 71 11.429 -1.680 -9.512 1.00 0.00 H new ATOM 1161 N TYR A 72 9.004 0.793 -11.339 1.00 0.00 N ATOM 1162 CA TYR A 72 7.535 0.773 -11.361 1.00 0.00 C ATOM 1163 C TYR A 72 6.981 -0.639 -11.473 1.00 0.00 C ATOM 1164 O TYR A 72 5.997 -0.988 -10.819 1.00 0.00 O ATOM 1165 CB TYR A 72 7.002 1.633 -12.504 1.00 0.00 C ATOM 1166 CG TYR A 72 7.908 1.682 -13.716 1.00 0.00 C ATOM 1167 CD1 TYR A 72 7.805 0.729 -14.721 1.00 0.00 C ATOM 1168 CD2 TYR A 72 8.864 2.681 -13.854 1.00 0.00 C ATOM 1169 CE1 TYR A 72 8.629 0.769 -15.829 1.00 0.00 C ATOM 1170 CE2 TYR A 72 9.691 2.728 -14.960 1.00 0.00 C ATOM 1171 CZ TYR A 72 9.570 1.770 -15.944 1.00 0.00 C ATOM 1172 OH TYR A 72 10.391 1.814 -17.047 1.00 0.00 O ATOM 0 H TYR A 72 9.409 1.630 -11.758 1.00 0.00 H new ATOM 0 HA TYR A 72 7.198 1.187 -10.411 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.027 1.251 -12.808 1.00 0.00 H new ATOM 0 HB3 TYR A 72 6.847 2.648 -12.139 1.00 0.00 H new ATOM 0 HD1 TYR A 72 7.069 -0.056 -14.635 1.00 0.00 H new ATOM 0 HD2 TYR A 72 8.962 3.433 -13.085 1.00 0.00 H new ATOM 0 HE1 TYR A 72 8.537 0.020 -16.601 1.00 0.00 H new ATOM 0 HE2 TYR A 72 10.429 3.511 -15.053 1.00 0.00 H new ATOM 0 HH TYR A 72 10.996 2.581 -16.974 1.00 0.00 H new ATOM 1182 N GLN A 73 7.609 -1.453 -12.297 1.00 0.00 N ATOM 1183 CA GLN A 73 7.168 -2.813 -12.468 1.00 0.00 C ATOM 1184 C GLN A 73 7.188 -3.582 -11.154 1.00 0.00 C ATOM 1185 O GLN A 73 6.212 -4.245 -10.790 1.00 0.00 O ATOM 1186 CB GLN A 73 8.060 -3.489 -13.476 1.00 0.00 C ATOM 1187 CG GLN A 73 7.343 -3.771 -14.761 1.00 0.00 C ATOM 1188 CD GLN A 73 6.666 -5.129 -14.739 1.00 0.00 C ATOM 1189 OE1 GLN A 73 6.768 -5.908 -15.687 1.00 0.00 O ATOM 1190 NE2 GLN A 73 5.964 -5.411 -13.637 1.00 0.00 N ATOM 0 H GLN A 73 8.423 -1.193 -12.855 1.00 0.00 H new ATOM 0 HA GLN A 73 6.137 -2.802 -12.821 1.00 0.00 H new ATOM 0 HB2 GLN A 73 8.926 -2.857 -13.675 1.00 0.00 H new ATOM 0 HB3 GLN A 73 8.436 -4.423 -13.058 1.00 0.00 H new ATOM 0 HG2 GLN A 73 6.598 -2.996 -14.940 1.00 0.00 H new ATOM 0 HG3 GLN A 73 8.051 -3.730 -15.589 1.00 0.00 H new ATOM 0 HE21 GLN A 73 5.910 -4.731 -12.879 1.00 0.00 H new ATOM 0 HE22 GLN A 73 5.482 -6.306 -13.554 1.00 0.00 H new ATOM 1199 N GLN A 74 8.295 -3.479 -10.432 1.00 0.00 N ATOM 1200 CA GLN A 74 8.420 -4.156 -9.161 1.00 0.00 C ATOM 1201 C GLN A 74 7.332 -3.672 -8.227 1.00 0.00 C ATOM 1202 O GLN A 74 6.926 -4.381 -7.316 1.00 0.00 O ATOM 1203 CB GLN A 74 9.798 -3.901 -8.546 1.00 0.00 C ATOM 1204 CG GLN A 74 10.484 -5.161 -8.044 1.00 0.00 C ATOM 1205 CD GLN A 74 10.869 -6.104 -9.166 1.00 0.00 C ATOM 1206 OE1 GLN A 74 10.720 -5.780 -10.345 1.00 0.00 O ATOM 1207 NE2 GLN A 74 11.368 -7.280 -8.805 1.00 0.00 N ATOM 0 H GLN A 74 9.112 -2.935 -10.708 1.00 0.00 H new ATOM 0 HA GLN A 74 8.313 -5.229 -9.318 1.00 0.00 H new ATOM 0 HB2 GLN A 74 10.435 -3.422 -9.290 1.00 0.00 H new ATOM 0 HB3 GLN A 74 9.693 -3.200 -7.718 1.00 0.00 H new ATOM 0 HG2 GLN A 74 11.378 -4.885 -7.484 1.00 0.00 H new ATOM 0 HG3 GLN A 74 9.821 -5.679 -7.351 1.00 0.00 H new ATOM 0 HE21 GLN A 74 11.474 -7.507 -7.816 1.00 0.00 H new ATOM 0 HE22 GLN A 74 11.645 -7.956 -9.516 1.00 0.00 H new ATOM 1216 N LEU A 75 6.866 -2.449 -8.471 1.00 0.00 N ATOM 1217 CA LEU A 75 5.833 -1.850 -7.663 1.00 0.00 C ATOM 1218 C LEU A 75 4.552 -2.644 -7.703 1.00 0.00 C ATOM 1219 O LEU A 75 4.165 -3.246 -6.713 1.00 0.00 O ATOM 1220 CB LEU A 75 5.597 -0.429 -8.110 1.00 0.00 C ATOM 1221 CG LEU A 75 6.726 0.495 -7.719 1.00 0.00 C ATOM 1222 CD1 LEU A 75 6.900 0.456 -6.220 1.00 0.00 C ATOM 1223 CD2 LEU A 75 8.021 0.092 -8.389 1.00 0.00 C ATOM 0 H LEU A 75 7.198 -1.857 -9.232 1.00 0.00 H new ATOM 0 HA LEU A 75 6.173 -1.850 -6.627 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.473 -0.408 -9.193 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.666 -0.065 -7.675 1.00 0.00 H new ATOM 0 HG LEU A 75 6.476 1.505 -8.044 1.00 0.00 H new ATOM 0 HD11 LEU A 75 7.714 1.121 -5.931 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.978 0.780 -5.738 1.00 0.00 H new ATOM 0 HD13 LEU A 75 7.134 -0.562 -5.907 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.815 0.776 -8.088 1.00 0.00 H new ATOM 0 HD22 LEU A 75 8.284 -0.923 -8.091 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.899 0.132 -9.471 1.00 0.00 H new ATOM 1235 N GLU A 76 3.877 -2.669 -8.831 1.00 0.00 N ATOM 1236 CA GLU A 76 2.645 -3.438 -8.871 1.00 0.00 C ATOM 1237 C GLU A 76 2.908 -4.898 -8.543 1.00 0.00 C ATOM 1238 O GLU A 76 1.986 -5.638 -8.217 1.00 0.00 O ATOM 1239 CB GLU A 76 1.899 -3.321 -10.176 1.00 0.00 C ATOM 1240 CG GLU A 76 0.428 -3.642 -9.983 1.00 0.00 C ATOM 1241 CD GLU A 76 -0.320 -3.860 -11.283 1.00 0.00 C ATOM 1242 OE1 GLU A 76 0.329 -3.877 -12.349 1.00 0.00 O ATOM 1243 OE2 GLU A 76 -1.557 -4.026 -11.232 1.00 0.00 O ATOM 0 H GLU A 76 4.139 -2.193 -9.694 1.00 0.00 H new ATOM 0 HA GLU A 76 1.999 -3.004 -8.108 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.007 -2.312 -10.573 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.332 -4.001 -10.910 1.00 0.00 H new ATOM 0 HG2 GLU A 76 0.338 -4.537 -9.367 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.044 -2.828 -9.434 1.00 0.00 H new ATOM 1250 N SER A 77 4.174 -5.297 -8.548 1.00 0.00 N ATOM 1251 CA SER A 77 4.512 -6.648 -8.156 1.00 0.00 C ATOM 1252 C SER A 77 4.256 -6.711 -6.662 1.00 0.00 C ATOM 1253 O SER A 77 3.851 -7.727 -6.104 1.00 0.00 O ATOM 1254 CB SER A 77 5.974 -6.974 -8.486 1.00 0.00 C ATOM 1255 OG SER A 77 6.603 -7.668 -7.421 1.00 0.00 O ATOM 0 H SER A 77 4.966 -4.713 -8.815 1.00 0.00 H new ATOM 0 HA SER A 77 3.916 -7.384 -8.696 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.018 -7.578 -9.392 1.00 0.00 H new ATOM 0 HB3 SER A 77 6.517 -6.051 -8.692 1.00 0.00 H new ATOM 0 HG SER A 77 7.533 -7.863 -7.662 1.00 0.00 H new ATOM 1261 N ILE A 78 4.451 -5.554 -6.046 1.00 0.00 N ATOM 1262 CA ILE A 78 4.217 -5.364 -4.640 1.00 0.00 C ATOM 1263 C ILE A 78 2.728 -5.285 -4.383 1.00 0.00 C ATOM 1264 O ILE A 78 2.164 -6.035 -3.582 1.00 0.00 O ATOM 1265 CB ILE A 78 4.865 -4.034 -4.128 1.00 0.00 C ATOM 1266 CG1 ILE A 78 3.864 -2.863 -4.141 1.00 0.00 C ATOM 1267 CG2 ILE A 78 6.069 -3.648 -4.952 1.00 0.00 C ATOM 1268 CD1 ILE A 78 4.001 -1.938 -2.962 1.00 0.00 C ATOM 0 H ILE A 78 4.781 -4.715 -6.524 1.00 0.00 H new ATOM 0 HA ILE A 78 4.663 -6.207 -4.113 1.00 0.00 H new ATOM 0 HB ILE A 78 5.175 -4.228 -3.101 1.00 0.00 H new ATOM 0 HG12 ILE A 78 4.000 -2.291 -5.059 1.00 0.00 H new ATOM 0 HG13 ILE A 78 2.850 -3.263 -4.162 1.00 0.00 H new ATOM 0 HG21 ILE A 78 6.491 -2.720 -4.566 1.00 0.00 H new ATOM 0 HG22 ILE A 78 6.817 -4.439 -4.895 1.00 0.00 H new ATOM 0 HG23 ILE A 78 5.769 -3.506 -5.990 1.00 0.00 H new ATOM 0 HD11 ILE A 78 3.264 -1.138 -3.039 1.00 0.00 H new ATOM 0 HD12 ILE A 78 3.836 -2.496 -2.040 1.00 0.00 H new ATOM 0 HD13 ILE A 78 5.003 -1.508 -2.951 1.00 0.00 H new ATOM 1280 N TYR A 79 2.115 -4.327 -5.068 1.00 0.00 N ATOM 1281 CA TYR A 79 0.716 -4.059 -4.929 1.00 0.00 C ATOM 1282 C TYR A 79 -0.086 -5.237 -5.376 1.00 0.00 C ATOM 1283 O TYR A 79 -0.912 -5.756 -4.644 1.00 0.00 O ATOM 1284 CB TYR A 79 0.331 -2.822 -5.744 1.00 0.00 C ATOM 1285 CG TYR A 79 -1.027 -2.248 -5.384 1.00 0.00 C ATOM 1286 CD1 TYR A 79 -2.143 -3.063 -5.206 1.00 0.00 C ATOM 1287 CD2 TYR A 79 -1.188 -0.883 -5.213 1.00 0.00 C ATOM 1288 CE1 TYR A 79 -3.372 -2.527 -4.871 1.00 0.00 C ATOM 1289 CE2 TYR A 79 -2.415 -0.342 -4.875 1.00 0.00 C ATOM 1290 CZ TYR A 79 -3.501 -1.169 -4.706 1.00 0.00 C ATOM 1291 OH TYR A 79 -4.724 -0.634 -4.370 1.00 0.00 O ATOM 0 H TYR A 79 2.590 -3.719 -5.735 1.00 0.00 H new ATOM 0 HA TYR A 79 0.502 -3.869 -3.877 1.00 0.00 H new ATOM 0 HB2 TYR A 79 1.090 -2.053 -5.599 1.00 0.00 H new ATOM 0 HB3 TYR A 79 0.337 -3.080 -6.803 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -2.046 -4.131 -5.332 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -0.339 -0.229 -5.346 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -4.228 -3.173 -4.739 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -2.520 0.725 -4.744 1.00 0.00 H new ATOM 0 HH TYR A 79 -5.301 -0.615 -5.162 1.00 0.00 H new ATOM 1301 N PHE A 80 0.148 -5.629 -6.599 1.00 0.00 N ATOM 1302 CA PHE A 80 -0.600 -6.726 -7.184 1.00 0.00 C ATOM 1303 C PHE A 80 -0.035 -8.109 -6.910 1.00 0.00 C ATOM 1304 O PHE A 80 -0.790 -9.016 -6.549 1.00 0.00 O ATOM 1305 CB PHE A 80 -0.726 -6.527 -8.703 1.00 0.00 C ATOM 1306 CG PHE A 80 -1.313 -7.699 -9.459 1.00 0.00 C ATOM 1307 CD1 PHE A 80 -2.192 -8.583 -8.850 1.00 0.00 C ATOM 1308 CD2 PHE A 80 -0.979 -7.908 -10.788 1.00 0.00 C ATOM 1309 CE1 PHE A 80 -2.724 -9.649 -9.550 1.00 0.00 C ATOM 1310 CE2 PHE A 80 -1.509 -8.973 -11.493 1.00 0.00 C ATOM 1311 CZ PHE A 80 -2.382 -9.844 -10.873 1.00 0.00 C ATOM 0 H PHE A 80 0.847 -5.212 -7.214 1.00 0.00 H new ATOM 0 HA PHE A 80 -1.574 -6.696 -6.695 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -1.345 -5.649 -8.888 1.00 0.00 H new ATOM 0 HB3 PHE A 80 0.263 -6.312 -9.109 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -2.464 -8.436 -7.815 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -0.296 -7.230 -11.279 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -3.407 -10.329 -9.062 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -1.240 -9.123 -12.528 1.00 0.00 H new ATOM 0 HZ PHE A 80 -2.797 -10.676 -11.422 1.00 0.00 H new ATOM 1321 N ARG A 81 1.257 -8.299 -7.143 1.00 0.00 N ATOM 1322 CA ARG A 81 1.832 -9.629 -7.018 1.00 0.00 C ATOM 1323 C ARG A 81 2.041 -10.106 -5.592 1.00 0.00 C ATOM 1324 O ARG A 81 2.283 -11.294 -5.378 1.00 0.00 O ATOM 1325 CB ARG A 81 3.123 -9.715 -7.827 1.00 0.00 C ATOM 1326 CG ARG A 81 2.900 -9.693 -9.336 1.00 0.00 C ATOM 1327 CD ARG A 81 1.813 -8.700 -9.753 1.00 0.00 C ATOM 1328 NE ARG A 81 1.772 -8.518 -11.202 1.00 0.00 N ATOM 1329 CZ ARG A 81 1.361 -9.454 -12.056 1.00 0.00 C ATOM 1330 NH1 ARG A 81 0.931 -10.627 -11.610 1.00 0.00 N ATOM 1331 NH2 ARG A 81 1.373 -9.212 -13.360 1.00 0.00 N ATOM 0 H ARG A 81 1.913 -7.566 -7.414 1.00 0.00 H new ATOM 0 HA ARG A 81 1.090 -10.315 -7.426 1.00 0.00 H new ATOM 0 HB2 ARG A 81 3.771 -8.883 -7.552 1.00 0.00 H new ATOM 0 HB3 ARG A 81 3.650 -10.631 -7.559 1.00 0.00 H new ATOM 0 HG2 ARG A 81 3.834 -9.435 -9.834 1.00 0.00 H new ATOM 0 HG3 ARG A 81 2.624 -10.692 -9.674 1.00 0.00 H new ATOM 0 HD2 ARG A 81 0.843 -9.055 -9.404 1.00 0.00 H new ATOM 0 HD3 ARG A 81 1.994 -7.739 -9.271 1.00 0.00 H new ATOM 0 HE ARG A 81 2.076 -7.622 -11.582 1.00 0.00 H new ATOM 0 HH11 ARG A 81 0.914 -10.816 -10.608 1.00 0.00 H new ATOM 0 HH12 ARG A 81 0.618 -11.340 -12.269 1.00 0.00 H new ATOM 0 HH21 ARG A 81 1.697 -8.310 -13.708 1.00 0.00 H new ATOM 0 HH22 ARG A 81 1.058 -9.928 -14.015 1.00 0.00 H new ATOM 1345 N ILE A 82 1.959 -9.220 -4.614 1.00 0.00 N ATOM 1346 CA ILE A 82 2.157 -9.654 -3.243 1.00 0.00 C ATOM 1347 C ILE A 82 1.121 -9.086 -2.287 1.00 0.00 C ATOM 1348 O ILE A 82 1.016 -9.554 -1.157 1.00 0.00 O ATOM 1349 CB ILE A 82 3.563 -9.284 -2.734 1.00 0.00 C ATOM 1350 CG1 ILE A 82 4.613 -9.580 -3.803 1.00 0.00 C ATOM 1351 CG2 ILE A 82 3.885 -10.051 -1.461 1.00 0.00 C ATOM 1352 CD1 ILE A 82 5.850 -8.722 -3.681 1.00 0.00 C ATOM 0 H ILE A 82 1.763 -8.227 -4.737 1.00 0.00 H new ATOM 0 HA ILE A 82 2.045 -10.738 -3.261 1.00 0.00 H new ATOM 0 HB ILE A 82 3.578 -8.217 -2.514 1.00 0.00 H new ATOM 0 HG12 ILE A 82 4.900 -10.630 -3.739 1.00 0.00 H new ATOM 0 HG13 ILE A 82 4.171 -9.429 -4.788 1.00 0.00 H new ATOM 0 HG21 ILE A 82 4.882 -9.778 -1.114 1.00 0.00 H new ATOM 0 HG22 ILE A 82 3.153 -9.804 -0.692 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.851 -11.122 -1.663 1.00 0.00 H new ATOM 0 HD11 ILE A 82 6.554 -8.984 -4.471 1.00 0.00 H new ATOM 0 HD12 ILE A 82 5.575 -7.671 -3.774 1.00 0.00 H new ATOM 0 HD13 ILE A 82 6.315 -8.890 -2.710 1.00 0.00 H new ATOM 1364 N LEU A 83 0.363 -8.072 -2.702 1.00 0.00 N ATOM 1365 CA LEU A 83 -0.607 -7.491 -1.790 1.00 0.00 C ATOM 1366 C LEU A 83 -1.833 -6.906 -2.489 1.00 0.00 C ATOM 1367 O LEU A 83 -2.457 -6.008 -1.937 1.00 0.00 O ATOM 1368 CB LEU A 83 0.079 -6.370 -1.006 1.00 0.00 C ATOM 1369 CG LEU A 83 -0.596 -5.954 0.305 1.00 0.00 C ATOM 1370 CD1 LEU A 83 -0.653 -7.120 1.279 1.00 0.00 C ATOM 1371 CD2 LEU A 83 0.143 -4.778 0.929 1.00 0.00 C ATOM 0 H LEU A 83 0.401 -7.651 -3.630 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.960 -8.296 -1.145 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.099 -6.682 -0.783 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.148 -5.493 -1.650 1.00 0.00 H new ATOM 0 HG LEU A 83 -1.618 -5.648 0.081 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.136 -6.800 2.202 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -1.222 -7.937 0.836 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.359 -7.460 1.499 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.347 -4.493 1.860 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.174 -5.064 1.135 1.00 0.00 H new ATOM 0 HD23 LEU A 83 0.132 -3.934 0.239 1.00 0.00 H new ATOM 1383 N LEU A 84 -2.196 -7.360 -3.695 1.00 0.00 N ATOM 1384 CA LEU A 84 -3.352 -6.752 -4.353 1.00 0.00 C ATOM 1385 C LEU A 84 -4.598 -6.784 -3.428 1.00 0.00 C ATOM 1386 O LEU A 84 -4.986 -5.762 -2.863 1.00 0.00 O ATOM 1387 CB LEU A 84 -3.612 -7.396 -5.742 1.00 0.00 C ATOM 1388 CG LEU A 84 -4.417 -6.529 -6.712 1.00 0.00 C ATOM 1389 CD1 LEU A 84 -5.191 -5.529 -5.915 1.00 0.00 C ATOM 1390 CD2 LEU A 84 -3.534 -5.811 -7.720 1.00 0.00 C ATOM 0 H LEU A 84 -1.732 -8.107 -4.211 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.130 -5.701 -4.540 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.653 -7.635 -6.201 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.139 -8.339 -5.596 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.082 -7.178 -7.281 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.773 -4.899 -6.588 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.863 -6.049 -5.233 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -4.502 -4.908 -5.342 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.155 -5.210 -8.384 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.833 -5.163 -7.193 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.980 -6.544 -8.306 1.00 0.00 H new ATOM 1402 N PRO A 85 -5.212 -7.957 -3.261 1.00 0.00 N ATOM 1403 CA PRO A 85 -6.393 -8.202 -2.415 1.00 0.00 C ATOM 1404 C PRO A 85 -6.399 -7.461 -1.070 1.00 0.00 C ATOM 1405 O PRO A 85 -7.462 -7.242 -0.496 1.00 0.00 O ATOM 1406 CB PRO A 85 -6.302 -9.727 -2.166 1.00 0.00 C ATOM 1407 CG PRO A 85 -4.980 -10.127 -2.749 1.00 0.00 C ATOM 1408 CD PRO A 85 -4.796 -9.184 -3.879 1.00 0.00 C ATOM 0 HA PRO A 85 -7.300 -7.846 -2.904 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -6.352 -9.959 -1.102 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -7.124 -10.257 -2.647 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -4.176 -10.038 -2.018 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -4.989 -11.163 -3.089 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -3.763 -9.146 -4.224 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -5.410 -9.444 -4.741 1.00 0.00 H new ATOM 1416 N TYR A 86 -5.229 -7.111 -0.545 1.00 0.00 N ATOM 1417 CA TYR A 86 -5.160 -6.437 0.756 1.00 0.00 C ATOM 1418 C TYR A 86 -5.218 -4.918 0.647 1.00 0.00 C ATOM 1419 O TYR A 86 -5.712 -4.248 1.551 1.00 0.00 O ATOM 1420 CB TYR A 86 -3.894 -6.843 1.500 1.00 0.00 C ATOM 1421 CG TYR A 86 -3.939 -6.513 2.975 1.00 0.00 C ATOM 1422 CD1 TYR A 86 -5.049 -6.839 3.744 1.00 0.00 C ATOM 1423 CD2 TYR A 86 -2.877 -5.870 3.596 1.00 0.00 C ATOM 1424 CE1 TYR A 86 -5.098 -6.534 5.091 1.00 0.00 C ATOM 1425 CE2 TYR A 86 -2.918 -5.562 4.942 1.00 0.00 C ATOM 1426 CZ TYR A 86 -4.030 -5.896 5.685 1.00 0.00 C ATOM 1427 OH TYR A 86 -4.075 -5.589 7.026 1.00 0.00 O ATOM 0 H TYR A 86 -4.326 -7.278 -0.989 1.00 0.00 H new ATOM 0 HA TYR A 86 -6.041 -6.757 1.312 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -3.737 -7.915 1.379 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -3.038 -6.342 1.048 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -5.887 -7.339 3.282 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -2.004 -5.606 3.017 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -5.968 -6.794 5.675 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -2.083 -5.062 5.410 1.00 0.00 H new ATOM 0 HH TYR A 86 -4.627 -6.249 7.494 1.00 0.00 H new ATOM 1437 N GLU A 87 -4.695 -4.374 -0.438 1.00 0.00 N ATOM 1438 CA GLU A 87 -4.680 -2.926 -0.621 1.00 0.00 C ATOM 1439 C GLU A 87 -5.929 -2.433 -1.334 1.00 0.00 C ATOM 1440 O GLU A 87 -6.451 -1.363 -1.023 1.00 0.00 O ATOM 1441 CB GLU A 87 -3.440 -2.510 -1.409 1.00 0.00 C ATOM 1442 CG GLU A 87 -2.247 -3.414 -1.173 1.00 0.00 C ATOM 1443 CD GLU A 87 -0.974 -2.877 -1.796 1.00 0.00 C ATOM 1444 OE1 GLU A 87 -1.071 -2.005 -2.685 1.00 0.00 O ATOM 1445 OE2 GLU A 87 0.120 -3.324 -1.393 1.00 0.00 O ATOM 0 H GLU A 87 -4.277 -4.905 -1.202 1.00 0.00 H new ATOM 0 HA GLU A 87 -4.657 -2.471 0.369 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -3.679 -2.506 -2.473 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -3.172 -1.489 -1.138 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -2.097 -3.539 -0.101 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -2.458 -4.402 -1.582 1.00 0.00 H new ATOM 1452 N ARG A 88 -6.389 -3.205 -2.306 1.00 0.00 N ATOM 1453 CA ARG A 88 -7.564 -2.828 -3.084 1.00 0.00 C ATOM 1454 C ARG A 88 -8.868 -3.240 -2.405 1.00 0.00 C ATOM 1455 O ARG A 88 -9.923 -2.673 -2.688 1.00 0.00 O ATOM 1456 CB ARG A 88 -7.491 -3.453 -4.478 1.00 0.00 C ATOM 1457 CG ARG A 88 -8.184 -2.628 -5.551 1.00 0.00 C ATOM 1458 CD ARG A 88 -8.902 -3.513 -6.557 1.00 0.00 C ATOM 1459 NE ARG A 88 -9.529 -2.734 -7.622 1.00 0.00 N ATOM 1460 CZ ARG A 88 -8.856 -2.172 -8.624 1.00 0.00 C ATOM 1461 NH1 ARG A 88 -7.538 -2.302 -8.704 1.00 0.00 N ATOM 1462 NH2 ARG A 88 -9.505 -1.478 -9.550 1.00 0.00 N ATOM 0 H ARG A 88 -5.970 -4.095 -2.576 1.00 0.00 H new ATOM 0 HA ARG A 88 -7.563 -1.741 -3.161 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -6.445 -3.587 -4.753 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -7.941 -4.445 -4.447 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -8.899 -1.950 -5.085 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -7.449 -2.010 -6.067 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -8.192 -4.217 -6.992 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -9.662 -4.103 -6.044 1.00 0.00 H new ATOM 0 HE ARG A 88 -10.542 -2.614 -7.596 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -7.034 -2.835 -7.995 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -7.029 -1.869 -9.474 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -10.518 -1.376 -9.494 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -8.991 -1.047 -10.318 1.00 0.00 H new ATOM 1476 N HIS A 89 -8.806 -4.240 -1.532 1.00 0.00 N ATOM 1477 CA HIS A 89 -10.007 -4.722 -0.857 1.00 0.00 C ATOM 1478 C HIS A 89 -10.278 -4.007 0.469 1.00 0.00 C ATOM 1479 O HIS A 89 -11.410 -4.014 0.952 1.00 0.00 O ATOM 1480 CB HIS A 89 -9.915 -6.228 -0.618 1.00 0.00 C ATOM 1481 CG HIS A 89 -11.249 -6.896 -0.490 1.00 0.00 C ATOM 1482 ND1 HIS A 89 -11.850 -7.581 -1.526 1.00 0.00 N ATOM 1483 CD2 HIS A 89 -12.100 -6.984 0.560 1.00 0.00 C ATOM 1484 CE1 HIS A 89 -13.013 -8.059 -1.118 1.00 0.00 C ATOM 1485 NE2 HIS A 89 -13.187 -7.711 0.143 1.00 0.00 N ATOM 0 H HIS A 89 -7.948 -4.728 -1.277 1.00 0.00 H new ATOM 0 HA HIS A 89 -10.843 -4.499 -1.520 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -9.366 -6.685 -1.441 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -9.338 -6.409 0.289 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -11.951 -6.561 1.542 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -13.703 -8.636 -1.715 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -13.998 -7.945 0.715 1.00 0.00 H new ATOM 1494 N MET A 90 -9.252 -3.412 1.073 1.00 0.00 N ATOM 1495 CA MET A 90 -9.425 -2.734 2.345 1.00 0.00 C ATOM 1496 C MET A 90 -9.786 -1.261 2.156 1.00 0.00 C ATOM 1497 O MET A 90 -10.341 -0.636 3.060 1.00 0.00 O ATOM 1498 CB MET A 90 -8.158 -2.908 3.196 1.00 0.00 C ATOM 1499 CG MET A 90 -7.708 -1.658 3.932 1.00 0.00 C ATOM 1500 SD MET A 90 -5.926 -1.431 3.877 1.00 0.00 S ATOM 1501 CE MET A 90 -5.723 -1.125 2.128 1.00 0.00 C ATOM 0 H MET A 90 -8.302 -3.388 0.702 1.00 0.00 H new ATOM 0 HA MET A 90 -10.263 -3.188 2.873 1.00 0.00 H new ATOM 0 HB2 MET A 90 -8.333 -3.699 3.925 1.00 0.00 H new ATOM 0 HB3 MET A 90 -7.347 -3.244 2.550 1.00 0.00 H new ATOM 0 HG2 MET A 90 -8.196 -0.787 3.494 1.00 0.00 H new ATOM 0 HG3 MET A 90 -8.032 -1.716 4.971 1.00 0.00 H new ATOM 0 HE1 MET A 90 -4.663 -1.155 1.874 1.00 0.00 H new ATOM 0 HE2 MET A 90 -6.254 -1.890 1.561 1.00 0.00 H new ATOM 0 HE3 MET A 90 -6.128 -0.144 1.881 1.00 0.00 H new ATOM 1511 N ILE A 91 -9.472 -0.708 0.986 1.00 0.00 N ATOM 1512 CA ILE A 91 -9.770 0.694 0.698 1.00 0.00 C ATOM 1513 C ILE A 91 -11.169 1.066 1.183 1.00 0.00 C ATOM 1514 O ILE A 91 -11.324 1.682 2.237 1.00 0.00 O ATOM 1515 CB ILE A 91 -9.628 0.997 -0.815 1.00 0.00 C ATOM 1516 CG1 ILE A 91 -8.151 1.092 -1.184 1.00 0.00 C ATOM 1517 CG2 ILE A 91 -10.344 2.285 -1.201 1.00 0.00 C ATOM 1518 CD1 ILE A 91 -7.839 0.598 -2.579 1.00 0.00 C ATOM 0 H ILE A 91 -9.013 -1.207 0.224 1.00 0.00 H new ATOM 0 HA ILE A 91 -9.044 1.302 1.238 1.00 0.00 H new ATOM 0 HB ILE A 91 -10.094 0.181 -1.367 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -7.830 2.130 -1.095 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -7.568 0.516 -0.465 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -10.222 2.463 -2.269 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -11.405 2.196 -0.967 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -9.919 3.119 -0.643 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -6.770 0.697 -2.769 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -8.128 -0.449 -2.667 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -8.393 1.190 -3.307 1.00 0.00 H new ATOM 1530 N SER A 92 -12.183 0.689 0.414 1.00 0.00 N ATOM 1531 CA SER A 92 -13.568 0.986 0.774 1.00 0.00 C ATOM 1532 C SER A 92 -13.781 2.480 1.043 1.00 0.00 C ATOM 1533 O SER A 92 -14.852 2.885 1.494 1.00 0.00 O ATOM 1534 CB SER A 92 -13.969 0.184 2.011 1.00 0.00 C ATOM 1535 OG SER A 92 -14.172 -1.182 1.693 1.00 0.00 O ATOM 0 H SER A 92 -12.075 0.178 -0.462 1.00 0.00 H new ATOM 0 HA SER A 92 -14.194 0.704 -0.073 1.00 0.00 H new ATOM 0 HB2 SER A 92 -13.193 0.272 2.772 1.00 0.00 H new ATOM 0 HB3 SER A 92 -14.882 0.600 2.437 1.00 0.00 H new ATOM 0 HG SER A 92 -14.426 -1.672 2.503 1.00 0.00 H new ATOM 1541 N GLN A 93 -12.762 3.295 0.769 1.00 0.00 N ATOM 1542 CA GLN A 93 -12.850 4.734 0.989 1.00 0.00 C ATOM 1543 C GLN A 93 -12.794 5.058 2.479 1.00 0.00 C ATOM 1544 O GLN A 93 -13.508 5.937 2.962 1.00 0.00 O ATOM 1545 CB GLN A 93 -14.135 5.298 0.377 1.00 0.00 C ATOM 1546 CG GLN A 93 -14.461 4.730 -0.997 1.00 0.00 C ATOM 1547 CD GLN A 93 -15.879 4.200 -1.088 1.00 0.00 C ATOM 1548 OE1 GLN A 93 -16.178 3.108 -0.606 1.00 0.00 O ATOM 1549 NE2 GLN A 93 -16.761 4.974 -1.710 1.00 0.00 N ATOM 0 H GLN A 93 -11.867 2.981 0.394 1.00 0.00 H new ATOM 0 HA GLN A 93 -11.996 5.201 0.499 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -14.967 5.095 1.051 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -14.045 6.382 0.300 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -14.318 5.505 -1.750 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -13.761 3.927 -1.229 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -16.469 5.872 -2.095 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -17.730 4.670 -1.803 1.00 0.00 H new ATOM 1558 N GLU A 94 -11.938 4.341 3.201 1.00 0.00 N ATOM 1559 CA GLU A 94 -11.783 4.549 4.637 1.00 0.00 C ATOM 1560 C GLU A 94 -10.541 5.386 4.947 1.00 0.00 C ATOM 1561 O GLU A 94 -10.308 5.760 6.096 1.00 0.00 O ATOM 1562 CB GLU A 94 -11.693 3.204 5.362 1.00 0.00 C ATOM 1563 CG GLU A 94 -12.677 2.164 4.847 1.00 0.00 C ATOM 1564 CD GLU A 94 -13.451 1.490 5.963 1.00 0.00 C ATOM 1565 OE1 GLU A 94 -12.876 1.305 7.057 1.00 0.00 O ATOM 1566 OE2 GLU A 94 -14.631 1.146 5.743 1.00 0.00 O ATOM 0 H GLU A 94 -11.341 3.610 2.815 1.00 0.00 H new ATOM 0 HA GLU A 94 -12.660 5.092 4.990 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -10.680 2.814 5.261 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -11.869 3.362 6.426 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -13.377 2.640 4.161 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -12.136 1.408 4.277 1.00 0.00 H new ATOM 1573 N GLY A 95 -9.744 5.674 3.920 1.00 0.00 N ATOM 1574 CA GLY A 95 -8.539 6.459 4.115 1.00 0.00 C ATOM 1575 C GLY A 95 -8.806 7.953 4.163 1.00 0.00 C ATOM 1576 O GLY A 95 -7.875 8.749 4.283 1.00 0.00 O ATOM 0 H GLY A 95 -9.912 5.378 2.959 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -8.058 6.151 5.043 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -7.839 6.246 3.307 1.00 0.00 H new ATOM 1580 N ILE A 96 -10.076 8.340 4.070 1.00 0.00 N ATOM 1581 CA ILE A 96 -10.446 9.750 4.105 1.00 0.00 C ATOM 1582 C ILE A 96 -10.852 10.184 5.510 1.00 0.00 C ATOM 1583 O ILE A 96 -11.546 11.185 5.686 1.00 0.00 O ATOM 1584 CB ILE A 96 -11.601 10.053 3.131 1.00 0.00 C ATOM 1585 CG1 ILE A 96 -11.329 9.415 1.767 1.00 0.00 C ATOM 1586 CG2 ILE A 96 -11.798 11.556 2.993 1.00 0.00 C ATOM 1587 CD1 ILE A 96 -12.502 9.500 0.816 1.00 0.00 C ATOM 0 H ILE A 96 -10.863 7.698 3.970 1.00 0.00 H new ATOM 0 HA ILE A 96 -9.564 10.312 3.798 1.00 0.00 H new ATOM 0 HB ILE A 96 -12.518 9.623 3.533 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -10.467 9.903 1.312 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -11.064 8.368 1.911 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -12.617 11.754 2.302 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -12.035 11.983 3.968 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -10.883 12.009 2.611 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -12.238 9.028 -0.130 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -13.360 8.987 1.250 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -12.754 10.546 0.642 1.00 0.00 H new ATOM 1599 N LYS A 97 -10.413 9.425 6.507 1.00 0.00 N ATOM 1600 CA LYS A 97 -10.728 9.730 7.900 1.00 0.00 C ATOM 1601 C LYS A 97 -9.673 9.168 8.847 1.00 0.00 C ATOM 1602 O LYS A 97 -9.909 9.033 10.047 1.00 0.00 O ATOM 1603 CB LYS A 97 -12.092 9.157 8.263 1.00 0.00 C ATOM 1604 CG LYS A 97 -13.261 9.949 7.699 1.00 0.00 C ATOM 1605 CD LYS A 97 -14.382 10.095 8.718 1.00 0.00 C ATOM 1606 CE LYS A 97 -15.743 9.801 8.103 1.00 0.00 C ATOM 1607 NZ LYS A 97 -16.623 11.003 8.103 1.00 0.00 N ATOM 0 H LYS A 97 -9.837 8.593 6.378 1.00 0.00 H new ATOM 0 HA LYS A 97 -10.742 10.815 8.008 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -12.152 8.131 7.901 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -12.182 9.118 9.349 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -12.917 10.937 7.391 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -13.642 9.452 6.807 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -14.206 9.417 9.553 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -14.376 11.107 9.123 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -15.611 9.448 7.080 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -16.226 8.997 8.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -17.540 10.762 7.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -16.770 11.325 9.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -16.174 11.762 7.552 1.00 0.00 H new ATOM 1621 N GLU A 98 -8.516 8.840 8.297 1.00 0.00 N ATOM 1622 CA GLU A 98 -7.420 8.286 9.085 1.00 0.00 C ATOM 1623 C GLU A 98 -6.095 8.964 8.748 1.00 0.00 C ATOM 1624 O GLU A 98 -5.254 9.173 9.623 1.00 0.00 O ATOM 1625 CB GLU A 98 -7.307 6.779 8.850 1.00 0.00 C ATOM 1626 CG GLU A 98 -8.457 5.982 9.444 1.00 0.00 C ATOM 1627 CD GLU A 98 -8.003 4.671 10.055 1.00 0.00 C ATOM 1628 OE1 GLU A 98 -7.032 4.080 9.538 1.00 0.00 O ATOM 1629 OE2 GLU A 98 -8.619 4.236 11.051 1.00 0.00 O ATOM 0 H GLU A 98 -8.308 8.947 7.304 1.00 0.00 H new ATOM 0 HA GLU A 98 -7.640 8.472 10.136 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -7.261 6.590 7.778 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -6.370 6.422 9.278 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -8.954 6.581 10.207 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -9.194 5.780 8.667 1.00 0.00 H new ATOM 1636 N THR A 99 -5.911 9.302 7.476 1.00 0.00 N ATOM 1637 CA THR A 99 -4.685 9.952 7.026 1.00 0.00 C ATOM 1638 C THR A 99 -4.824 11.473 7.049 1.00 0.00 C ATOM 1639 O THR A 99 -4.339 12.163 6.153 1.00 0.00 O ATOM 1640 CB THR A 99 -4.326 9.484 5.614 1.00 0.00 C ATOM 1641 OG1 THR A 99 -5.192 10.067 4.657 1.00 0.00 O ATOM 1642 CG2 THR A 99 -4.400 7.981 5.444 1.00 0.00 C ATOM 0 H THR A 99 -6.595 9.137 6.738 1.00 0.00 H new ATOM 0 HA THR A 99 -3.886 9.672 7.713 1.00 0.00 H new ATOM 0 HB THR A 99 -3.295 9.801 5.459 1.00 0.00 H new ATOM 0 HG1 THR A 99 -6.029 9.558 4.620 1.00 0.00 H new ATOM 0 HG21 THR A 99 -4.134 7.717 4.421 1.00 0.00 H new ATOM 0 HG22 THR A 99 -3.706 7.502 6.135 1.00 0.00 H new ATOM 0 HG23 THR A 99 -5.414 7.641 5.654 1.00 0.00 H new ATOM 1650 N GLN A 100 -5.487 11.989 8.080 1.00 0.00 N ATOM 1651 CA GLN A 100 -5.687 13.428 8.220 1.00 0.00 C ATOM 1652 C GLN A 100 -6.384 14.008 6.991 1.00 0.00 C ATOM 1653 O GLN A 100 -5.769 14.179 5.939 1.00 0.00 O ATOM 1654 CB GLN A 100 -4.344 14.130 8.443 1.00 0.00 C ATOM 1655 CG GLN A 100 -4.203 14.744 9.826 1.00 0.00 C ATOM 1656 CD GLN A 100 -2.799 15.248 10.100 1.00 0.00 C ATOM 1657 OE1 GLN A 100 -1.862 14.941 9.362 1.00 0.00 O ATOM 1658 NE2 GLN A 100 -2.647 16.025 11.165 1.00 0.00 N ATOM 0 H GLN A 100 -5.895 11.432 8.831 1.00 0.00 H new ATOM 0 HA GLN A 100 -6.327 13.598 9.086 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -3.538 13.413 8.289 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -4.223 14.912 7.693 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -4.907 15.570 9.926 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -4.472 14.002 10.578 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -3.452 16.254 11.749 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -1.725 16.394 11.400 1.00 0.00 H new ATOM 1667 N ALA A 101 -7.669 14.311 7.136 1.00 0.00 N ATOM 1668 CA ALA A 101 -8.450 14.874 6.041 1.00 0.00 C ATOM 1669 C ALA A 101 -9.553 15.785 6.567 1.00 0.00 C ATOM 1670 O ALA A 101 -10.619 15.900 5.962 1.00 0.00 O ATOM 1671 CB ALA A 101 -9.042 13.761 5.188 1.00 0.00 C ATOM 0 H ALA A 101 -8.192 14.176 8.001 1.00 0.00 H new ATOM 0 HA ALA A 101 -7.783 15.474 5.422 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -9.623 14.196 4.374 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.238 13.152 4.775 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -9.690 13.137 5.803 1.00 0.00 H new ATOM 1677 N LYS A 102 -9.290 16.430 7.699 1.00 0.00 N ATOM 1678 CA LYS A 102 -10.261 17.332 8.309 1.00 0.00 C ATOM 1679 C LYS A 102 -9.724 18.759 8.354 1.00 0.00 C ATOM 1680 O LYS A 102 -9.110 19.171 9.339 1.00 0.00 O ATOM 1681 CB LYS A 102 -10.608 16.860 9.722 1.00 0.00 C ATOM 1682 CG LYS A 102 -11.057 15.410 9.786 1.00 0.00 C ATOM 1683 CD LYS A 102 -12.549 15.277 9.525 1.00 0.00 C ATOM 1684 CE LYS A 102 -12.952 13.826 9.319 1.00 0.00 C ATOM 1685 NZ LYS A 102 -14.280 13.524 9.924 1.00 0.00 N ATOM 0 H LYS A 102 -8.413 16.345 8.213 1.00 0.00 H new ATOM 0 HA LYS A 102 -11.164 17.322 7.698 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -9.737 16.990 10.364 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -11.398 17.494 10.124 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -10.504 14.824 9.052 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -10.820 14.997 10.767 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -13.105 15.694 10.365 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -12.818 15.859 8.644 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -12.981 13.606 8.252 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -12.197 13.174 9.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -14.170 12.792 10.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -14.670 14.387 10.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -14.928 13.182 9.186 1.00 0.00 H new ATOM 1699 N ARG A 103 -9.961 19.509 7.283 1.00 0.00 N ATOM 1700 CA ARG A 103 -9.503 20.890 7.200 1.00 0.00 C ATOM 1701 C ARG A 103 -10.642 21.817 6.792 1.00 0.00 C ATOM 1702 O ARG A 103 -11.210 22.525 7.624 1.00 0.00 O ATOM 1703 CB ARG A 103 -8.348 21.007 6.202 1.00 0.00 C ATOM 1704 CG ARG A 103 -6.996 20.631 6.790 1.00 0.00 C ATOM 1705 CD ARG A 103 -6.333 19.513 6.000 1.00 0.00 C ATOM 1706 NE ARG A 103 -4.913 19.384 6.321 1.00 0.00 N ATOM 1707 CZ ARG A 103 -3.966 20.179 5.827 1.00 0.00 C ATOM 1708 NH1 ARG A 103 -4.282 21.160 4.991 1.00 0.00 N ATOM 1709 NH2 ARG A 103 -2.699 19.992 6.170 1.00 0.00 N ATOM 0 H ARG A 103 -10.468 19.183 6.460 1.00 0.00 H new ATOM 0 HA ARG A 103 -9.152 21.191 8.187 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -8.553 20.366 5.345 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -8.302 22.031 5.831 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -6.346 21.506 6.798 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -7.124 20.319 7.826 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -6.839 18.571 6.210 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -6.448 19.705 4.933 1.00 0.00 H new ATOM 0 HE ARG A 103 -4.631 18.641 6.961 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -5.255 21.308 4.723 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -3.552 21.766 4.616 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -2.450 19.239 6.812 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -1.973 20.601 5.792 1.00 0.00 H new ATOM 1723 N ILE A 104 -10.969 21.806 5.507 1.00 0.00 N ATOM 1724 CA ILE A 104 -12.041 22.644 4.981 1.00 0.00 C ATOM 1725 C ILE A 104 -13.409 22.107 5.389 1.00 0.00 C ATOM 1726 O ILE A 104 -13.927 21.171 4.780 1.00 0.00 O ATOM 1727 CB ILE A 104 -11.978 22.739 3.444 1.00 0.00 C ATOM 1728 CG1 ILE A 104 -11.842 21.345 2.827 1.00 0.00 C ATOM 1729 CG2 ILE A 104 -10.821 23.629 3.015 1.00 0.00 C ATOM 1730 CD1 ILE A 104 -12.682 21.151 1.584 1.00 0.00 C ATOM 0 H ILE A 104 -10.507 21.225 4.807 1.00 0.00 H new ATOM 0 HA ILE A 104 -11.902 23.638 5.405 1.00 0.00 H new ATOM 0 HB ILE A 104 -12.906 23.184 3.086 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -10.795 21.166 2.580 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -12.127 20.599 3.569 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -10.790 23.686 1.927 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -10.959 24.629 3.427 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -9.884 23.211 3.383 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -12.536 20.141 1.200 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -13.734 21.298 1.829 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -12.382 21.874 0.826 1.00 0.00 H new TER 1742 ILE A 104