USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 610 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 29 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 33 HIS : no HD1:sc= 0.455 K(o=0.33,f=-4.6!) USER MOD Set 2.2: A 98 SER OG : rot -14:sc= -0.129 USER MOD Set 3.1: A 24 ASN : amide:sc= -6.69! C(o=-9.7!,f=-9.8!) USER MOD Set 3.2: A 26 HIS : no HD1:sc= -0.22 K(o=-9.7,f=-14) USER MOD Set 3.3: A 36 THR OG1 : rot -50:sc= -2.02! USER MOD Set 3.4: A 88 THR OG1 : rot -62:sc= 0.721 USER MOD Set 3.5: A 95 THR OG1 : rot -149:sc= -1.45! USER MOD Set 4.1: A 23 CYS SG : rot -157:sc= 0.763 USER MOD Set 4.2: A 25 HIS : no HE2:sc= -0.721 K(o=1.8,f=0.015!) USER MOD Set 4.3: A 70 CYS SG : rot 18:sc= 1.54 USER MOD Set 4.4: A 87 SER OG : rot -163:sc= 0.177 USER MOD Single : A 19 SER OG : rot -24:sc= 0.16 USER MOD Single : A 22 GLN : amide:sc= -0.326 X(o=-0.33,f=0) USER MOD Single : A 30 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 LYS NZ :NH3+ -170:sc= -0.0188 (180deg=-0.192) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -6.04! C(o=-6!,f=-10!) USER MOD Single : A 66 SER OG : rot 180:sc= -0.0583 USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=-0.002) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -170:sc= -0.0282 (180deg=-0.156) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -2.72! K(o=-2.7!,f=-0.84) USER MOD Single : A 83 SER OG : rot 180:sc= -0.0137 USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.0833 USER MOD Single : A 92 SER OG : rot 140:sc= 0.293 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 19 20.913 -0.590 -2.589 1.00 0.00 N ATOM 2 CA SER A 19 20.403 0.691 -3.128 1.00 0.00 C ATOM 3 C SER A 19 18.939 0.885 -2.744 1.00 0.00 C ATOM 4 O SER A 19 18.420 0.153 -1.899 1.00 0.00 O ATOM 5 CB SER A 19 20.570 0.715 -4.652 1.00 0.00 C ATOM 6 OG SER A 19 20.028 -0.456 -5.250 1.00 0.00 O ATOM 0 HA SER A 19 20.978 1.512 -2.698 1.00 0.00 H new ATOM 0 HB2 SER A 19 20.076 1.596 -5.060 1.00 0.00 H new ATOM 0 HB3 SER A 19 21.628 0.798 -4.903 1.00 0.00 H new ATOM 0 HG SER A 19 20.014 -1.183 -4.593 1.00 0.00 H new ATOM 14 N PHE A 20 18.280 1.882 -3.334 1.00 0.00 N ATOM 15 CA PHE A 20 16.852 2.069 -3.118 1.00 0.00 C ATOM 16 C PHE A 20 16.086 0.809 -3.507 1.00 0.00 C ATOM 17 O PHE A 20 16.429 0.126 -4.475 1.00 0.00 O ATOM 18 CB PHE A 20 16.324 3.304 -3.866 1.00 0.00 C ATOM 19 CG PHE A 20 16.687 3.373 -5.328 1.00 0.00 C ATOM 20 CD1 PHE A 20 17.864 3.984 -5.734 1.00 0.00 C ATOM 21 CD2 PHE A 20 15.843 2.846 -6.293 1.00 0.00 C ATOM 22 CE1 PHE A 20 18.193 4.066 -7.072 1.00 0.00 C ATOM 23 CE2 PHE A 20 16.167 2.928 -7.634 1.00 0.00 C ATOM 24 CZ PHE A 20 17.344 3.538 -8.024 1.00 0.00 C ATOM 0 H PHE A 20 18.710 2.564 -3.958 1.00 0.00 H new ATOM 0 HA PHE A 20 16.691 2.250 -2.055 1.00 0.00 H new ATOM 0 HB2 PHE A 20 15.238 3.326 -3.776 1.00 0.00 H new ATOM 0 HB3 PHE A 20 16.703 4.198 -3.371 1.00 0.00 H new ATOM 0 HD1 PHE A 20 18.531 4.401 -4.994 1.00 0.00 H new ATOM 0 HD2 PHE A 20 14.923 2.366 -5.994 1.00 0.00 H new ATOM 0 HE1 PHE A 20 19.114 4.543 -7.374 1.00 0.00 H new ATOM 0 HE2 PHE A 20 15.500 2.515 -8.377 1.00 0.00 H new ATOM 0 HZ PHE A 20 17.599 3.602 -9.071 1.00 0.00 H new ATOM 34 N VAL A 21 15.063 0.497 -2.737 1.00 0.00 N ATOM 35 CA VAL A 21 14.394 -0.788 -2.841 1.00 0.00 C ATOM 36 C VAL A 21 12.904 -0.627 -3.142 1.00 0.00 C ATOM 37 O VAL A 21 12.252 0.296 -2.651 1.00 0.00 O ATOM 38 CB VAL A 21 14.608 -1.598 -1.540 1.00 0.00 C ATOM 39 CG1 VAL A 21 14.307 -0.733 -0.334 1.00 0.00 C ATOM 40 CG2 VAL A 21 13.761 -2.861 -1.511 1.00 0.00 C ATOM 0 H VAL A 21 14.674 1.118 -2.028 1.00 0.00 H new ATOM 0 HA VAL A 21 14.833 -1.333 -3.677 1.00 0.00 H new ATOM 0 HB VAL A 21 15.653 -1.907 -1.510 1.00 0.00 H new ATOM 0 HG11 VAL A 21 14.461 -1.312 0.577 1.00 0.00 H new ATOM 0 HG12 VAL A 21 14.972 0.131 -0.331 1.00 0.00 H new ATOM 0 HG13 VAL A 21 13.272 -0.394 -0.378 1.00 0.00 H new ATOM 0 HG21 VAL A 21 13.942 -3.399 -0.581 1.00 0.00 H new ATOM 0 HG22 VAL A 21 12.706 -2.593 -1.576 1.00 0.00 H new ATOM 0 HG23 VAL A 21 14.027 -3.497 -2.356 1.00 0.00 H new ATOM 50 N GLN A 22 12.386 -1.511 -3.987 1.00 0.00 N ATOM 51 CA GLN A 22 10.965 -1.547 -4.291 1.00 0.00 C ATOM 52 C GLN A 22 10.272 -2.555 -3.386 1.00 0.00 C ATOM 53 O GLN A 22 10.830 -3.609 -3.076 1.00 0.00 O ATOM 54 CB GLN A 22 10.735 -1.919 -5.758 1.00 0.00 C ATOM 55 CG GLN A 22 11.308 -3.273 -6.144 1.00 0.00 C ATOM 56 CD GLN A 22 11.016 -3.636 -7.584 1.00 0.00 C ATOM 57 OE1 GLN A 22 11.785 -3.314 -8.486 1.00 0.00 O ATOM 58 NE2 GLN A 22 9.901 -4.310 -7.812 1.00 0.00 N ATOM 0 H GLN A 22 12.936 -2.217 -4.476 1.00 0.00 H new ATOM 0 HA GLN A 22 10.546 -0.556 -4.117 1.00 0.00 H new ATOM 0 HB2 GLN A 22 9.664 -1.917 -5.960 1.00 0.00 H new ATOM 0 HB3 GLN A 22 11.180 -1.152 -6.392 1.00 0.00 H new ATOM 0 HG2 GLN A 22 12.386 -3.266 -5.986 1.00 0.00 H new ATOM 0 HG3 GLN A 22 10.895 -4.039 -5.488 1.00 0.00 H new ATOM 0 HE21 GLN A 22 9.288 -4.559 -7.036 1.00 0.00 H new ATOM 0 HE22 GLN A 22 9.654 -4.581 -8.764 1.00 0.00 H new ATOM 67 N CYS A 23 9.062 -2.238 -2.964 1.00 0.00 N ATOM 68 CA CYS A 23 8.337 -3.103 -2.054 1.00 0.00 C ATOM 69 C CYS A 23 6.839 -3.030 -2.313 1.00 0.00 C ATOM 70 O CYS A 23 6.307 -1.978 -2.684 1.00 0.00 O ATOM 71 CB CYS A 23 8.646 -2.699 -0.613 1.00 0.00 C ATOM 72 SG CYS A 23 8.322 -0.955 -0.256 1.00 0.00 S ATOM 0 H CYS A 23 8.563 -1.391 -3.236 1.00 0.00 H new ATOM 0 HA CYS A 23 8.656 -4.132 -2.218 1.00 0.00 H new ATOM 0 HB2 CYS A 23 8.052 -3.315 0.062 1.00 0.00 H new ATOM 0 HB3 CYS A 23 9.693 -2.915 -0.402 1.00 0.00 H new ATOM 0 HG CYS A 23 9.027 -0.584 0.771 1.00 0.00 H new ATOM 78 N ASN A 24 6.157 -4.150 -2.132 1.00 0.00 N ATOM 79 CA ASN A 24 4.710 -4.170 -2.245 1.00 0.00 C ATOM 80 C ASN A 24 4.099 -3.531 -1.013 1.00 0.00 C ATOM 81 O ASN A 24 4.227 -4.041 0.097 1.00 0.00 O ATOM 82 CB ASN A 24 4.171 -5.593 -2.440 1.00 0.00 C ATOM 83 CG ASN A 24 4.954 -6.635 -1.672 1.00 0.00 C ATOM 84 OD1 ASN A 24 4.706 -6.880 -0.490 1.00 0.00 O ATOM 85 ND2 ASN A 24 5.886 -7.278 -2.355 1.00 0.00 N ATOM 0 H ASN A 24 6.580 -5.051 -1.908 1.00 0.00 H new ATOM 0 HA ASN A 24 4.429 -3.599 -3.130 1.00 0.00 H new ATOM 0 HB2 ASN A 24 3.128 -5.626 -2.125 1.00 0.00 H new ATOM 0 HB3 ASN A 24 4.192 -5.841 -3.501 1.00 0.00 H new ATOM 0 HD21 ASN A 24 6.434 -8.011 -1.904 1.00 0.00 H new ATOM 0 HD22 ASN A 24 6.057 -7.041 -3.332 1.00 0.00 H new ATOM 92 N HIS A 25 3.468 -2.390 -1.215 1.00 0.00 N ATOM 93 CA HIS A 25 2.837 -1.667 -0.127 1.00 0.00 C ATOM 94 C HIS A 25 1.513 -2.330 0.197 1.00 0.00 C ATOM 95 O HIS A 25 0.626 -2.405 -0.653 1.00 0.00 O ATOM 96 CB HIS A 25 2.609 -0.202 -0.505 1.00 0.00 C ATOM 97 CG HIS A 25 3.862 0.606 -0.708 1.00 0.00 C ATOM 98 ND1 HIS A 25 5.012 0.105 -1.284 1.00 0.00 N ATOM 99 CD2 HIS A 25 4.134 1.899 -0.409 1.00 0.00 C ATOM 100 CE1 HIS A 25 5.928 1.052 -1.329 1.00 0.00 C ATOM 101 NE2 HIS A 25 5.422 2.150 -0.808 1.00 0.00 N ATOM 0 H HIS A 25 3.379 -1.942 -2.127 1.00 0.00 H new ATOM 0 HA HIS A 25 3.491 -1.691 0.745 1.00 0.00 H new ATOM 0 HB2 HIS A 25 2.020 -0.167 -1.421 1.00 0.00 H new ATOM 0 HB3 HIS A 25 2.013 0.270 0.276 1.00 0.00 H new ATOM 0 HD1 HIS A 25 5.134 -0.850 -1.622 1.00 0.00 H new ATOM 0 HD2 HIS A 25 3.461 2.603 0.058 1.00 0.00 H new ATOM 0 HE1 HIS A 25 6.926 0.945 -1.727 1.00 0.00 H new ATOM 110 N HIS A 26 1.392 -2.837 1.405 1.00 0.00 N ATOM 111 CA HIS A 26 0.211 -3.590 1.793 1.00 0.00 C ATOM 112 C HIS A 26 -0.889 -2.666 2.273 1.00 0.00 C ATOM 113 O HIS A 26 -0.639 -1.737 3.031 1.00 0.00 O ATOM 114 CB HIS A 26 0.539 -4.599 2.898 1.00 0.00 C ATOM 115 CG HIS A 26 1.260 -5.821 2.419 1.00 0.00 C ATOM 116 ND1 HIS A 26 1.019 -7.085 2.918 1.00 0.00 N ATOM 117 CD2 HIS A 26 2.229 -5.969 1.487 1.00 0.00 C ATOM 118 CE1 HIS A 26 1.808 -7.951 2.312 1.00 0.00 C ATOM 119 NE2 HIS A 26 2.552 -7.300 1.438 1.00 0.00 N ATOM 0 H HIS A 26 2.095 -2.743 2.138 1.00 0.00 H new ATOM 0 HA HIS A 26 -0.133 -4.128 0.910 1.00 0.00 H new ATOM 0 HB2 HIS A 26 1.147 -4.106 3.656 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -0.388 -4.904 3.383 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.668 -5.183 0.891 1.00 0.00 H new ATOM 0 HE1 HIS A 26 1.840 -9.014 2.500 1.00 0.00 H new ATOM 0 HE2 HIS A 26 3.253 -7.719 0.826 1.00 0.00 H new ATOM 128 N LEU A 27 -2.096 -2.913 1.807 1.00 0.00 N ATOM 129 CA LEU A 27 -3.262 -2.251 2.349 1.00 0.00 C ATOM 130 C LEU A 27 -3.948 -3.227 3.293 1.00 0.00 C ATOM 131 O LEU A 27 -4.296 -4.349 2.900 1.00 0.00 O ATOM 132 CB LEU A 27 -4.215 -1.807 1.225 1.00 0.00 C ATOM 133 CG LEU A 27 -5.227 -0.705 1.596 1.00 0.00 C ATOM 134 CD1 LEU A 27 -6.227 -1.190 2.629 1.00 0.00 C ATOM 135 CD2 LEU A 27 -4.503 0.526 2.120 1.00 0.00 C ATOM 0 H LEU A 27 -2.294 -3.570 1.052 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.969 -1.350 2.888 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.616 -1.455 0.385 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.768 -2.680 0.878 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.774 -0.445 0.690 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.924 -0.386 2.866 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.777 -2.042 2.230 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.699 -1.490 3.534 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.232 1.295 2.377 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.928 0.260 3.007 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -3.830 0.907 1.352 1.00 0.00 H new ATOM 147 N LEU A 28 -4.114 -2.814 4.532 1.00 0.00 N ATOM 148 CA LEU A 28 -4.706 -3.662 5.541 1.00 0.00 C ATOM 149 C LEU A 28 -6.160 -3.294 5.771 1.00 0.00 C ATOM 150 O LEU A 28 -6.493 -2.162 6.131 1.00 0.00 O ATOM 151 CB LEU A 28 -3.924 -3.570 6.851 1.00 0.00 C ATOM 152 CG LEU A 28 -3.293 -4.879 7.316 1.00 0.00 C ATOM 153 CD1 LEU A 28 -4.359 -5.938 7.569 1.00 0.00 C ATOM 154 CD2 LEU A 28 -2.275 -5.365 6.295 1.00 0.00 C ATOM 0 H LEU A 28 -3.844 -1.888 4.865 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.663 -4.690 5.182 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.137 -2.825 6.736 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.593 -3.209 7.632 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.776 -4.697 8.258 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.883 -6.861 7.899 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.045 -5.587 8.340 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.913 -6.124 6.649 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.832 -6.300 6.639 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.770 -5.529 5.338 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.493 -4.615 6.176 1.00 0.00 H new ATOM 166 N TYR A 29 -7.012 -4.268 5.576 1.00 0.00 N ATOM 167 CA TYR A 29 -8.433 -4.106 5.787 1.00 0.00 C ATOM 168 C TYR A 29 -8.735 -4.569 7.196 1.00 0.00 C ATOM 169 O TYR A 29 -8.002 -5.402 7.728 1.00 0.00 O ATOM 170 CB TYR A 29 -9.194 -4.948 4.758 1.00 0.00 C ATOM 171 CG TYR A 29 -10.699 -4.819 4.811 1.00 0.00 C ATOM 172 CD1 TYR A 29 -11.324 -3.623 4.488 1.00 0.00 C ATOM 173 CD2 TYR A 29 -11.497 -5.903 5.154 1.00 0.00 C ATOM 174 CE1 TYR A 29 -12.701 -3.510 4.507 1.00 0.00 C ATOM 175 CE2 TYR A 29 -12.873 -5.796 5.181 1.00 0.00 C ATOM 176 CZ TYR A 29 -13.470 -4.600 4.854 1.00 0.00 C ATOM 177 OH TYR A 29 -14.842 -4.495 4.859 1.00 0.00 O ATOM 0 H TYR A 29 -6.741 -5.201 5.265 1.00 0.00 H new ATOM 0 HA TYR A 29 -8.741 -3.067 5.665 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -8.856 -4.668 3.760 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -8.929 -5.996 4.902 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -10.724 -2.766 4.217 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -11.033 -6.846 5.404 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -13.172 -2.572 4.251 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -13.478 -6.647 5.457 1.00 0.00 H new ATOM 0 HH TYR A 29 -15.235 -5.353 5.125 1.00 0.00 H new ATOM 187 N ASN A 30 -9.761 -4.010 7.820 1.00 0.00 N ATOM 188 CA ASN A 30 -10.106 -4.396 9.183 1.00 0.00 C ATOM 189 C ASN A 30 -10.403 -5.887 9.238 1.00 0.00 C ATOM 190 O ASN A 30 -11.495 -6.329 8.878 1.00 0.00 O ATOM 191 CB ASN A 30 -11.307 -3.596 9.689 1.00 0.00 C ATOM 192 CG ASN A 30 -11.713 -3.991 11.099 1.00 0.00 C ATOM 193 OD1 ASN A 30 -10.881 -4.405 11.910 1.00 0.00 O ATOM 194 ND2 ASN A 30 -12.991 -3.864 11.400 1.00 0.00 N ATOM 0 H ASN A 30 -10.364 -3.296 7.412 1.00 0.00 H new ATOM 0 HA ASN A 30 -9.257 -4.177 9.831 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -11.067 -2.533 9.667 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -12.150 -3.747 9.015 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -13.322 -4.112 12.332 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -13.648 -3.518 10.701 1.00 0.00 H new ATOM 201 N GLY A 31 -9.418 -6.651 9.691 1.00 0.00 N ATOM 202 CA GLY A 31 -9.533 -8.090 9.704 1.00 0.00 C ATOM 203 C GLY A 31 -8.324 -8.769 9.086 1.00 0.00 C ATOM 204 O GLY A 31 -7.639 -9.544 9.756 1.00 0.00 O ATOM 0 H GLY A 31 -8.534 -6.292 10.052 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.655 -8.434 10.731 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.431 -8.386 9.161 1.00 0.00 H new ATOM 208 N ARG A 32 -8.037 -8.453 7.820 1.00 0.00 N ATOM 209 CA ARG A 32 -6.973 -9.126 7.072 1.00 0.00 C ATOM 210 C ARG A 32 -6.498 -8.302 5.872 1.00 0.00 C ATOM 211 O ARG A 32 -6.987 -7.199 5.626 1.00 0.00 O ATOM 212 CB ARG A 32 -7.433 -10.504 6.581 1.00 0.00 C ATOM 213 CG ARG A 32 -7.181 -11.635 7.566 1.00 0.00 C ATOM 214 CD ARG A 32 -5.715 -11.703 7.965 1.00 0.00 C ATOM 215 NE ARG A 32 -5.358 -12.994 8.544 1.00 0.00 N ATOM 216 CZ ARG A 32 -4.477 -13.152 9.529 1.00 0.00 C ATOM 217 NH1 ARG A 32 -3.965 -12.093 10.147 1.00 0.00 N ATOM 218 NH2 ARG A 32 -4.126 -14.372 9.911 1.00 0.00 N ATOM 0 H ARG A 32 -8.529 -7.733 7.291 1.00 0.00 H new ATOM 0 HA ARG A 32 -6.138 -9.241 7.763 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -8.500 -10.461 6.360 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.923 -10.732 5.645 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -7.796 -11.490 8.454 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -7.483 -12.583 7.120 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.093 -11.516 7.089 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -5.499 -10.913 8.684 1.00 0.00 H new ATOM 0 HE ARG A 32 -5.812 -13.827 8.170 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -4.247 -11.154 9.867 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -3.290 -12.220 10.901 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -4.531 -15.187 9.450 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -3.451 -14.496 10.666 1.00 0.00 H new ATOM 232 N HIS A 33 -5.526 -8.858 5.145 1.00 0.00 N ATOM 233 CA HIS A 33 -4.976 -8.252 3.934 1.00 0.00 C ATOM 234 C HIS A 33 -6.075 -7.884 2.934 1.00 0.00 C ATOM 235 O HIS A 33 -6.952 -8.694 2.633 1.00 0.00 O ATOM 236 CB HIS A 33 -3.981 -9.244 3.308 1.00 0.00 C ATOM 237 CG HIS A 33 -3.689 -9.030 1.850 1.00 0.00 C ATOM 238 ND1 HIS A 33 -4.162 -9.870 0.866 1.00 0.00 N ATOM 239 CD2 HIS A 33 -2.962 -8.082 1.212 1.00 0.00 C ATOM 240 CE1 HIS A 33 -3.745 -9.453 -0.310 1.00 0.00 C ATOM 241 NE2 HIS A 33 -3.014 -8.369 -0.132 1.00 0.00 N ATOM 0 H HIS A 33 -5.095 -9.751 5.385 1.00 0.00 H new ATOM 0 HA HIS A 33 -4.469 -7.324 4.197 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -3.043 -9.189 3.861 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -4.370 -10.254 3.439 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -2.440 -7.256 1.672 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -3.964 -9.919 -1.260 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -2.561 -7.831 -0.871 1.00 0.00 H new ATOM 250 N TRP A 34 -6.016 -6.656 2.426 1.00 0.00 N ATOM 251 CA TRP A 34 -6.963 -6.209 1.413 1.00 0.00 C ATOM 252 C TRP A 34 -6.317 -6.248 0.029 1.00 0.00 C ATOM 253 O TRP A 34 -6.823 -6.894 -0.885 1.00 0.00 O ATOM 254 CB TRP A 34 -7.450 -4.791 1.722 1.00 0.00 C ATOM 255 CG TRP A 34 -8.644 -4.380 0.912 1.00 0.00 C ATOM 256 CD1 TRP A 34 -9.955 -4.562 1.245 1.00 0.00 C ATOM 257 CD2 TRP A 34 -8.642 -3.721 -0.361 1.00 0.00 C ATOM 258 NE1 TRP A 34 -10.767 -4.061 0.260 1.00 0.00 N ATOM 259 CE2 TRP A 34 -9.986 -3.539 -0.736 1.00 0.00 C ATOM 260 CE3 TRP A 34 -7.635 -3.263 -1.217 1.00 0.00 C ATOM 261 CZ2 TRP A 34 -10.348 -2.925 -1.931 1.00 0.00 C ATOM 262 CZ3 TRP A 34 -7.997 -2.656 -2.405 1.00 0.00 C ATOM 263 CH2 TRP A 34 -9.343 -2.490 -2.750 1.00 0.00 C ATOM 0 H TRP A 34 -5.325 -5.957 2.699 1.00 0.00 H new ATOM 0 HA TRP A 34 -7.819 -6.883 1.423 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -7.698 -4.723 2.781 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -6.637 -4.088 1.539 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -10.303 -5.032 2.153 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -11.787 -4.075 0.268 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -6.594 -3.381 -0.955 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -11.386 -2.797 -2.202 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -7.229 -2.304 -3.078 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -9.594 -2.008 -3.683 1.00 0.00 H new ATOM 274 N GLY A 35 -5.190 -5.561 -0.114 1.00 0.00 N ATOM 275 CA GLY A 35 -4.494 -5.528 -1.387 1.00 0.00 C ATOM 276 C GLY A 35 -3.068 -5.049 -1.226 1.00 0.00 C ATOM 277 O GLY A 35 -2.636 -4.760 -0.109 1.00 0.00 O ATOM 0 H GLY A 35 -4.745 -5.025 0.631 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.497 -6.524 -1.830 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.024 -4.871 -2.076 1.00 0.00 H new ATOM 281 N THR A 36 -2.320 -4.994 -2.320 1.00 0.00 N ATOM 282 CA THR A 36 -0.960 -4.487 -2.276 1.00 0.00 C ATOM 283 C THR A 36 -0.532 -3.932 -3.639 1.00 0.00 C ATOM 284 O THR A 36 -0.932 -4.446 -4.687 1.00 0.00 O ATOM 285 CB THR A 36 0.036 -5.573 -1.802 1.00 0.00 C ATOM 286 OG1 THR A 36 1.272 -4.968 -1.423 1.00 0.00 O ATOM 287 CG2 THR A 36 0.300 -6.607 -2.884 1.00 0.00 C ATOM 0 H THR A 36 -2.632 -5.293 -3.244 1.00 0.00 H new ATOM 0 HA THR A 36 -0.944 -3.673 -1.551 1.00 0.00 H new ATOM 0 HB THR A 36 -0.414 -6.078 -0.947 1.00 0.00 H new ATOM 0 HG1 THR A 36 1.574 -4.367 -2.136 1.00 0.00 H new ATOM 0 HG21 THR A 36 1.004 -7.351 -2.512 1.00 0.00 H new ATOM 0 HG22 THR A 36 -0.635 -7.096 -3.156 1.00 0.00 H new ATOM 0 HG23 THR A 36 0.721 -6.116 -3.761 1.00 0.00 H new ATOM 295 N ILE A 37 0.251 -2.857 -3.610 1.00 0.00 N ATOM 296 CA ILE A 37 0.822 -2.276 -4.819 1.00 0.00 C ATOM 297 C ILE A 37 2.342 -2.226 -4.677 1.00 0.00 C ATOM 298 O ILE A 37 2.860 -1.627 -3.731 1.00 0.00 O ATOM 299 CB ILE A 37 0.305 -0.835 -5.105 1.00 0.00 C ATOM 300 CG1 ILE A 37 -1.204 -0.797 -5.380 1.00 0.00 C ATOM 301 CG2 ILE A 37 1.051 -0.231 -6.286 1.00 0.00 C ATOM 302 CD1 ILE A 37 -2.067 -0.956 -4.149 1.00 0.00 C ATOM 0 H ILE A 37 0.506 -2.367 -2.752 1.00 0.00 H new ATOM 0 HA ILE A 37 0.516 -2.908 -5.653 1.00 0.00 H new ATOM 0 HB ILE A 37 0.493 -0.248 -4.206 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.450 0.150 -5.861 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.452 -1.588 -6.088 1.00 0.00 H new ATOM 0 HG21 ILE A 37 0.679 0.776 -6.475 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.116 -0.188 -6.060 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.892 -0.848 -7.171 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.118 -0.917 -4.434 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.854 -1.915 -3.677 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -1.852 -0.150 -3.447 1.00 0.00 H new ATOM 314 N ARG A 38 3.059 -2.858 -5.595 1.00 0.00 N ATOM 315 CA ARG A 38 4.513 -2.885 -5.512 1.00 0.00 C ATOM 316 C ARG A 38 5.111 -1.619 -6.111 1.00 0.00 C ATOM 317 O ARG A 38 5.133 -1.439 -7.329 1.00 0.00 O ATOM 318 CB ARG A 38 5.094 -4.128 -6.195 1.00 0.00 C ATOM 319 CG ARG A 38 6.584 -4.300 -5.944 1.00 0.00 C ATOM 320 CD ARG A 38 7.071 -5.684 -6.336 1.00 0.00 C ATOM 321 NE ARG A 38 6.973 -5.931 -7.771 1.00 0.00 N ATOM 322 CZ ARG A 38 6.656 -7.112 -8.302 1.00 0.00 C ATOM 323 NH1 ARG A 38 6.279 -8.120 -7.526 1.00 0.00 N ATOM 324 NH2 ARG A 38 6.692 -7.280 -9.614 1.00 0.00 N ATOM 0 H ARG A 38 2.665 -3.353 -6.395 1.00 0.00 H new ATOM 0 HA ARG A 38 4.780 -2.931 -4.456 1.00 0.00 H new ATOM 0 HB2 ARG A 38 4.566 -5.012 -5.838 1.00 0.00 H new ATOM 0 HB3 ARG A 38 4.917 -4.063 -7.269 1.00 0.00 H new ATOM 0 HG2 ARG A 38 7.136 -3.548 -6.508 1.00 0.00 H new ATOM 0 HG3 ARG A 38 6.796 -4.126 -4.889 1.00 0.00 H new ATOM 0 HD2 ARG A 38 8.108 -5.802 -6.021 1.00 0.00 H new ATOM 0 HD3 ARG A 38 6.488 -6.434 -5.802 1.00 0.00 H new ATOM 0 HE ARG A 38 7.158 -5.154 -8.405 1.00 0.00 H new ATOM 0 HH11 ARG A 38 6.230 -7.995 -6.515 1.00 0.00 H new ATOM 0 HH12 ARG A 38 6.038 -9.020 -7.941 1.00 0.00 H new ATOM 0 HH21 ARG A 38 6.963 -6.505 -10.220 1.00 0.00 H new ATOM 0 HH22 ARG A 38 6.449 -8.184 -10.019 1.00 0.00 H new ATOM 338 N LYS A 39 5.581 -0.744 -5.235 1.00 0.00 N ATOM 339 CA LYS A 39 6.190 0.511 -5.646 1.00 0.00 C ATOM 340 C LYS A 39 7.563 0.670 -5.013 1.00 0.00 C ATOM 341 O LYS A 39 7.836 0.122 -3.945 1.00 0.00 O ATOM 342 CB LYS A 39 5.299 1.696 -5.268 1.00 0.00 C ATOM 343 CG LYS A 39 4.073 1.840 -6.154 1.00 0.00 C ATOM 344 CD LYS A 39 4.466 1.996 -7.614 1.00 0.00 C ATOM 345 CE LYS A 39 3.254 2.161 -8.514 1.00 0.00 C ATOM 346 NZ LYS A 39 3.634 2.143 -9.949 1.00 0.00 N ATOM 0 H LYS A 39 5.551 -0.883 -4.225 1.00 0.00 H new ATOM 0 HA LYS A 39 6.302 0.493 -6.730 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.978 1.583 -4.233 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.886 2.613 -5.321 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.433 0.966 -6.038 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.491 2.705 -5.837 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.119 2.862 -7.723 1.00 0.00 H new ATOM 0 HD3 LYS A 39 5.037 1.123 -7.931 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.541 1.361 -8.316 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.752 3.100 -8.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.783 2.258 -10.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.295 2.922 -10.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.091 1.237 -10.176 1.00 0.00 H new ATOM 360 N LYS A 40 8.420 1.417 -5.685 1.00 0.00 N ATOM 361 CA LYS A 40 9.777 1.645 -5.219 1.00 0.00 C ATOM 362 C LYS A 40 9.775 2.728 -4.147 1.00 0.00 C ATOM 363 O LYS A 40 8.910 3.607 -4.145 1.00 0.00 O ATOM 364 CB LYS A 40 10.656 2.045 -6.409 1.00 0.00 C ATOM 365 CG LYS A 40 10.426 1.164 -7.630 1.00 0.00 C ATOM 366 CD LYS A 40 11.303 1.554 -8.811 1.00 0.00 C ATOM 367 CE LYS A 40 12.770 1.269 -8.544 1.00 0.00 C ATOM 368 NZ LYS A 40 13.581 1.335 -9.788 1.00 0.00 N ATOM 0 H LYS A 40 8.197 1.881 -6.565 1.00 0.00 H new ATOM 0 HA LYS A 40 10.182 0.734 -4.779 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.454 3.083 -6.672 1.00 0.00 H new ATOM 0 HB3 LYS A 40 11.705 1.988 -6.117 1.00 0.00 H new ATOM 0 HG2 LYS A 40 10.622 0.125 -7.365 1.00 0.00 H new ATOM 0 HG3 LYS A 40 9.378 1.226 -7.925 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.982 1.007 -9.698 1.00 0.00 H new ATOM 0 HD3 LYS A 40 11.172 2.615 -9.026 1.00 0.00 H new ATOM 0 HE2 LYS A 40 13.154 1.989 -7.821 1.00 0.00 H new ATOM 0 HE3 LYS A 40 12.872 0.281 -8.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 14.577 1.135 -9.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 13.231 0.631 -10.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 13.504 2.286 -10.203 1.00 0.00 H new ATOM 382 N ALA A 41 10.720 2.645 -3.219 1.00 0.00 N ATOM 383 CA ALA A 41 10.798 3.598 -2.119 1.00 0.00 C ATOM 384 C ALA A 41 10.963 5.020 -2.631 1.00 0.00 C ATOM 385 O ALA A 41 11.743 5.282 -3.547 1.00 0.00 O ATOM 386 CB ALA A 41 11.930 3.235 -1.176 1.00 0.00 C ATOM 0 H ALA A 41 11.444 1.927 -3.206 1.00 0.00 H new ATOM 0 HA ALA A 41 9.859 3.548 -1.568 1.00 0.00 H new ATOM 0 HB1 ALA A 41 11.971 3.958 -0.362 1.00 0.00 H new ATOM 0 HB2 ALA A 41 11.758 2.239 -0.768 1.00 0.00 H new ATOM 0 HB3 ALA A 41 12.875 3.246 -1.720 1.00 0.00 H new ATOM 392 N GLY A 42 10.214 5.931 -2.028 1.00 0.00 N ATOM 393 CA GLY A 42 10.224 7.314 -2.460 1.00 0.00 C ATOM 394 C GLY A 42 8.978 7.670 -3.244 1.00 0.00 C ATOM 395 O GLY A 42 8.642 8.843 -3.397 1.00 0.00 O ATOM 0 H GLY A 42 9.595 5.735 -1.241 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.304 7.966 -1.590 1.00 0.00 H new ATOM 0 HA3 GLY A 42 11.105 7.496 -3.076 1.00 0.00 H new ATOM 399 N TRP A 43 8.283 6.650 -3.724 1.00 0.00 N ATOM 400 CA TRP A 43 7.077 6.849 -4.511 1.00 0.00 C ATOM 401 C TRP A 43 5.848 6.861 -3.618 1.00 0.00 C ATOM 402 O TRP A 43 5.677 5.984 -2.765 1.00 0.00 O ATOM 403 CB TRP A 43 6.922 5.744 -5.561 1.00 0.00 C ATOM 404 CG TRP A 43 7.893 5.834 -6.699 1.00 0.00 C ATOM 405 CD1 TRP A 43 9.177 5.370 -6.724 1.00 0.00 C ATOM 406 CD2 TRP A 43 7.651 6.417 -7.985 1.00 0.00 C ATOM 407 NE1 TRP A 43 9.748 5.629 -7.947 1.00 0.00 N ATOM 408 CE2 TRP A 43 8.831 6.270 -8.739 1.00 0.00 C ATOM 409 CE3 TRP A 43 6.550 7.045 -8.574 1.00 0.00 C ATOM 410 CZ2 TRP A 43 8.940 6.733 -10.048 1.00 0.00 C ATOM 411 CZ3 TRP A 43 6.660 7.504 -9.873 1.00 0.00 C ATOM 412 CH2 TRP A 43 7.847 7.344 -10.598 1.00 0.00 C ATOM 0 H TRP A 43 8.536 5.672 -3.581 1.00 0.00 H new ATOM 0 HA TRP A 43 7.168 7.812 -5.014 1.00 0.00 H new ATOM 0 HB2 TRP A 43 7.040 4.776 -5.073 1.00 0.00 H new ATOM 0 HB3 TRP A 43 5.908 5.778 -5.960 1.00 0.00 H new ATOM 0 HD1 TRP A 43 9.671 4.872 -5.903 1.00 0.00 H new ATOM 0 HE1 TRP A 43 10.700 5.384 -8.221 1.00 0.00 H new ATOM 0 HE3 TRP A 43 5.629 7.169 -8.024 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 9.855 6.614 -10.609 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.817 7.994 -10.336 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.901 7.711 -11.612 1.00 0.00 H new ATOM 423 N ALA A 44 5.008 7.867 -3.802 1.00 0.00 N ATOM 424 CA ALA A 44 3.720 7.909 -3.143 1.00 0.00 C ATOM 425 C ALA A 44 2.754 6.977 -3.870 1.00 0.00 C ATOM 426 O ALA A 44 2.533 7.120 -5.074 1.00 0.00 O ATOM 427 CB ALA A 44 3.182 9.332 -3.132 1.00 0.00 C ATOM 0 H ALA A 44 5.200 8.667 -4.406 1.00 0.00 H new ATOM 0 HA ALA A 44 3.828 7.578 -2.110 1.00 0.00 H new ATOM 0 HB1 ALA A 44 2.213 9.351 -2.634 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.877 9.980 -2.598 1.00 0.00 H new ATOM 0 HB3 ALA A 44 3.070 9.687 -4.157 1.00 0.00 H new ATOM 433 N VAL A 45 2.188 6.020 -3.155 1.00 0.00 N ATOM 434 CA VAL A 45 1.321 5.031 -3.774 1.00 0.00 C ATOM 435 C VAL A 45 -0.133 5.284 -3.394 1.00 0.00 C ATOM 436 O VAL A 45 -0.425 5.780 -2.303 1.00 0.00 O ATOM 437 CB VAL A 45 1.732 3.593 -3.383 1.00 0.00 C ATOM 438 CG1 VAL A 45 1.460 3.321 -1.912 1.00 0.00 C ATOM 439 CG2 VAL A 45 1.028 2.572 -4.260 1.00 0.00 C ATOM 0 H VAL A 45 2.312 5.906 -2.149 1.00 0.00 H new ATOM 0 HA VAL A 45 1.428 5.129 -4.854 1.00 0.00 H new ATOM 0 HB VAL A 45 2.806 3.499 -3.545 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.760 2.302 -1.669 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.029 4.022 -1.301 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.396 3.444 -1.710 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.333 1.568 -3.966 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.051 2.673 -4.141 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.296 2.742 -5.303 1.00 0.00 H new ATOM 449 N ARG A 46 -1.035 4.962 -4.307 1.00 0.00 N ATOM 450 CA ARG A 46 -2.451 5.193 -4.093 1.00 0.00 C ATOM 451 C ARG A 46 -3.152 3.921 -3.628 1.00 0.00 C ATOM 452 O ARG A 46 -2.903 2.828 -4.142 1.00 0.00 O ATOM 453 CB ARG A 46 -3.112 5.743 -5.371 1.00 0.00 C ATOM 454 CG ARG A 46 -3.446 4.706 -6.447 1.00 0.00 C ATOM 455 CD ARG A 46 -2.224 3.928 -6.928 1.00 0.00 C ATOM 456 NE ARG A 46 -2.437 3.353 -8.254 1.00 0.00 N ATOM 457 CZ ARG A 46 -2.546 2.050 -8.499 1.00 0.00 C ATOM 458 NH1 ARG A 46 -2.488 1.171 -7.510 1.00 0.00 N ATOM 459 NH2 ARG A 46 -2.728 1.626 -9.740 1.00 0.00 N ATOM 0 H ARG A 46 -0.808 4.538 -5.207 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.553 5.939 -3.305 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -4.032 6.256 -5.090 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.450 6.491 -5.807 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -4.183 4.006 -6.053 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -3.907 5.209 -7.297 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -1.358 4.590 -6.953 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -1.997 3.132 -6.219 1.00 0.00 H new ATOM 0 HE ARG A 46 -2.507 3.993 -9.045 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -2.359 1.491 -6.550 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -2.573 0.174 -7.708 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -2.784 2.298 -10.505 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -2.812 0.627 -9.931 1.00 0.00 H new ATOM 473 N PHE A 47 -4.004 4.074 -2.633 1.00 0.00 N ATOM 474 CA PHE A 47 -4.855 2.996 -2.167 1.00 0.00 C ATOM 475 C PHE A 47 -6.306 3.443 -2.228 1.00 0.00 C ATOM 476 O PHE A 47 -6.646 4.529 -1.754 1.00 0.00 O ATOM 477 CB PHE A 47 -4.505 2.600 -0.733 1.00 0.00 C ATOM 478 CG PHE A 47 -3.120 2.046 -0.560 1.00 0.00 C ATOM 479 CD1 PHE A 47 -2.786 0.806 -1.081 1.00 0.00 C ATOM 480 CD2 PHE A 47 -2.161 2.754 0.143 1.00 0.00 C ATOM 481 CE1 PHE A 47 -1.519 0.287 -0.909 1.00 0.00 C ATOM 482 CE2 PHE A 47 -0.894 2.237 0.321 1.00 0.00 C ATOM 483 CZ PHE A 47 -0.573 1.002 -0.205 1.00 0.00 C ATOM 0 H PHE A 47 -4.126 4.950 -2.124 1.00 0.00 H new ATOM 0 HA PHE A 47 -4.700 2.129 -2.809 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -4.616 3.474 -0.091 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -5.225 1.858 -0.388 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -3.525 0.240 -1.628 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -2.407 3.721 0.557 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -1.269 -0.678 -1.325 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -0.154 2.799 0.872 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.418 0.596 -0.065 1.00 0.00 H new ATOM 493 N TYR A 48 -7.155 2.617 -2.809 1.00 0.00 N ATOM 494 CA TYR A 48 -8.556 2.956 -2.959 1.00 0.00 C ATOM 495 C TYR A 48 -9.417 1.716 -2.787 1.00 0.00 C ATOM 496 O TYR A 48 -8.987 0.604 -3.087 1.00 0.00 O ATOM 497 CB TYR A 48 -8.806 3.600 -4.332 1.00 0.00 C ATOM 498 CG TYR A 48 -8.538 2.682 -5.504 1.00 0.00 C ATOM 499 CD1 TYR A 48 -7.244 2.456 -5.956 1.00 0.00 C ATOM 500 CD2 TYR A 48 -9.583 2.044 -6.157 1.00 0.00 C ATOM 501 CE1 TYR A 48 -7.000 1.618 -7.026 1.00 0.00 C ATOM 502 CE2 TYR A 48 -9.348 1.205 -7.226 1.00 0.00 C ATOM 503 CZ TYR A 48 -8.055 0.994 -7.657 1.00 0.00 C ATOM 504 OH TYR A 48 -7.818 0.159 -8.724 1.00 0.00 O ATOM 0 H TYR A 48 -6.898 1.705 -3.185 1.00 0.00 H new ATOM 0 HA TYR A 48 -8.827 3.676 -2.187 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -9.841 3.939 -4.379 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -8.176 4.485 -4.426 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -6.416 2.943 -5.463 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -10.597 2.207 -5.823 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -5.989 1.452 -7.367 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -10.172 0.716 -7.723 1.00 0.00 H new ATOM 0 HH TYR A 48 -8.668 -0.201 -9.053 1.00 0.00 H new ATOM 514 N GLU A 49 -10.621 1.921 -2.288 1.00 0.00 N ATOM 515 CA GLU A 49 -11.562 0.836 -2.081 1.00 0.00 C ATOM 516 C GLU A 49 -12.497 0.724 -3.272 1.00 0.00 C ATOM 517 O GLU A 49 -12.876 1.733 -3.873 1.00 0.00 O ATOM 518 CB GLU A 49 -12.383 1.057 -0.806 1.00 0.00 C ATOM 519 CG GLU A 49 -13.238 2.317 -0.842 1.00 0.00 C ATOM 520 CD GLU A 49 -14.238 2.390 0.293 1.00 0.00 C ATOM 521 OE1 GLU A 49 -15.342 1.826 0.153 1.00 0.00 O ATOM 522 OE2 GLU A 49 -13.936 3.026 1.325 1.00 0.00 O ATOM 0 H GLU A 49 -10.973 2.839 -2.016 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.994 -0.088 -1.974 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.029 0.194 -0.646 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -11.706 1.111 0.047 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -12.588 3.191 -0.802 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -13.772 2.360 -1.792 1.00 0.00 H new ATOM 529 N GLU A 50 -12.844 -0.498 -3.630 1.00 0.00 N ATOM 530 CA GLU A 50 -13.846 -0.717 -4.651 1.00 0.00 C ATOM 531 C GLU A 50 -14.891 -1.709 -4.158 1.00 0.00 C ATOM 532 O GLU A 50 -14.657 -2.917 -4.091 1.00 0.00 O ATOM 533 CB GLU A 50 -13.214 -1.184 -5.969 1.00 0.00 C ATOM 534 CG GLU A 50 -12.352 -2.432 -5.858 1.00 0.00 C ATOM 535 CD GLU A 50 -11.823 -2.881 -7.204 1.00 0.00 C ATOM 536 OE1 GLU A 50 -12.552 -3.590 -7.930 1.00 0.00 O ATOM 537 OE2 GLU A 50 -10.685 -2.506 -7.552 1.00 0.00 O ATOM 0 H GLU A 50 -12.448 -1.349 -3.230 1.00 0.00 H new ATOM 0 HA GLU A 50 -14.340 0.234 -4.852 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -14.009 -1.372 -6.690 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -12.605 -0.374 -6.370 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -11.515 -2.236 -5.187 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -12.936 -3.237 -5.412 1.00 0.00 H new ATOM 544 N LYS A 51 -16.033 -1.180 -3.763 1.00 0.00 N ATOM 545 CA LYS A 51 -17.162 -2.008 -3.385 1.00 0.00 C ATOM 546 C LYS A 51 -18.048 -2.196 -4.608 1.00 0.00 C ATOM 547 O LYS A 51 -18.453 -1.218 -5.228 1.00 0.00 O ATOM 548 CB LYS A 51 -17.949 -1.356 -2.239 1.00 0.00 C ATOM 549 CG LYS A 51 -17.141 -1.144 -0.962 1.00 0.00 C ATOM 550 CD LYS A 51 -16.764 -2.458 -0.292 1.00 0.00 C ATOM 551 CE LYS A 51 -16.016 -2.213 1.011 1.00 0.00 C ATOM 552 NZ LYS A 51 -15.716 -3.475 1.745 1.00 0.00 N ATOM 0 H LYS A 51 -16.204 -0.177 -3.695 1.00 0.00 H new ATOM 0 HA LYS A 51 -16.811 -2.977 -3.032 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -18.330 -0.393 -2.578 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -18.814 -1.978 -2.008 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -16.235 -0.585 -1.197 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -17.719 -0.536 -0.266 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -17.664 -3.041 -0.095 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -16.143 -3.049 -0.966 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -15.083 -1.691 0.798 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -16.610 -1.558 1.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -15.206 -3.253 2.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -16.605 -3.963 1.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -15.127 -4.091 1.150 1.00 0.00 H new ATOM 566 N PRO A 52 -18.329 -3.456 -4.980 1.00 0.00 N ATOM 567 CA PRO A 52 -19.078 -3.796 -6.197 1.00 0.00 C ATOM 568 C PRO A 52 -20.315 -2.924 -6.409 1.00 0.00 C ATOM 569 O PRO A 52 -21.233 -2.913 -5.586 1.00 0.00 O ATOM 570 CB PRO A 52 -19.485 -5.262 -5.983 1.00 0.00 C ATOM 571 CG PRO A 52 -19.034 -5.621 -4.601 1.00 0.00 C ATOM 572 CD PRO A 52 -17.941 -4.661 -4.245 1.00 0.00 C ATOM 0 HA PRO A 52 -18.472 -3.633 -7.088 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -20.563 -5.386 -6.086 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -19.018 -5.909 -6.726 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -19.859 -5.548 -3.893 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -18.673 -6.649 -4.566 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -17.891 -4.483 -3.171 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -16.962 -5.027 -4.554 1.00 0.00 H new ATOM 580 N GLY A 53 -20.315 -2.181 -7.512 1.00 0.00 N ATOM 581 CA GLY A 53 -21.435 -1.315 -7.844 1.00 0.00 C ATOM 582 C GLY A 53 -21.186 0.128 -7.449 1.00 0.00 C ATOM 583 O GLY A 53 -21.731 1.052 -8.052 1.00 0.00 O ATOM 0 H GLY A 53 -19.552 -2.163 -8.188 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -21.626 -1.368 -8.916 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -22.332 -1.677 -7.342 1.00 0.00 H new ATOM 587 N GLN A 54 -20.351 0.311 -6.442 1.00 0.00 N ATOM 588 CA GLN A 54 -20.051 1.627 -5.903 1.00 0.00 C ATOM 589 C GLN A 54 -18.739 2.158 -6.473 1.00 0.00 C ATOM 590 O GLN A 54 -17.826 1.386 -6.783 1.00 0.00 O ATOM 591 CB GLN A 54 -19.978 1.536 -4.378 1.00 0.00 C ATOM 592 CG GLN A 54 -21.319 1.223 -3.738 1.00 0.00 C ATOM 593 CD GLN A 54 -21.185 0.659 -2.339 1.00 0.00 C ATOM 594 OE1 GLN A 54 -21.101 1.400 -1.359 1.00 0.00 O ATOM 595 NE2 GLN A 54 -21.191 -0.659 -2.233 1.00 0.00 N ATOM 0 H GLN A 54 -19.860 -0.450 -5.973 1.00 0.00 H new ATOM 0 HA GLN A 54 -20.841 2.322 -6.188 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -19.260 0.765 -4.099 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -19.603 2.479 -3.981 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -21.920 2.132 -3.702 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -21.857 0.509 -4.362 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -21.262 -1.238 -3.070 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -21.124 -1.097 -1.314 1.00 0.00 H new ATOM 604 N PRO A 55 -18.635 3.488 -6.628 1.00 0.00 N ATOM 605 CA PRO A 55 -17.431 4.136 -7.152 1.00 0.00 C ATOM 606 C PRO A 55 -16.243 3.981 -6.216 1.00 0.00 C ATOM 607 O PRO A 55 -16.396 3.859 -4.998 1.00 0.00 O ATOM 608 CB PRO A 55 -17.829 5.607 -7.274 1.00 0.00 C ATOM 609 CG PRO A 55 -18.949 5.781 -6.310 1.00 0.00 C ATOM 610 CD PRO A 55 -19.685 4.470 -6.298 1.00 0.00 C ATOM 0 HA PRO A 55 -17.113 3.695 -8.096 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -16.994 6.264 -7.032 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -18.141 5.849 -8.290 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -18.575 6.029 -5.317 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -19.606 6.596 -6.616 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -20.132 4.269 -5.325 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -20.493 4.456 -7.029 1.00 0.00 H new ATOM 618 N LYS A 56 -15.066 3.993 -6.806 1.00 0.00 N ATOM 619 CA LYS A 56 -13.832 3.762 -6.080 1.00 0.00 C ATOM 620 C LYS A 56 -13.431 4.997 -5.283 1.00 0.00 C ATOM 621 O LYS A 56 -13.497 6.122 -5.780 1.00 0.00 O ATOM 622 CB LYS A 56 -12.742 3.358 -7.067 1.00 0.00 C ATOM 623 CG LYS A 56 -13.110 2.109 -7.852 1.00 0.00 C ATOM 624 CD LYS A 56 -12.512 2.118 -9.244 1.00 0.00 C ATOM 625 CE LYS A 56 -13.004 0.938 -10.068 1.00 0.00 C ATOM 626 NZ LYS A 56 -12.747 -0.369 -9.404 1.00 0.00 N ATOM 0 H LYS A 56 -14.936 4.163 -7.803 1.00 0.00 H new ATOM 0 HA LYS A 56 -13.978 2.954 -5.364 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -12.559 4.179 -7.760 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -11.812 3.184 -6.527 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -12.763 1.227 -7.314 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -14.195 2.032 -7.924 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -12.773 3.049 -9.747 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.425 2.087 -9.175 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -14.074 1.046 -10.248 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -12.514 0.950 -11.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -12.943 -1.142 -10.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -11.753 -0.416 -9.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -13.366 -0.464 -8.573 1.00 0.00 H new ATOM 640 N ARG A 57 -13.019 4.767 -4.049 1.00 0.00 N ATOM 641 CA ARG A 57 -12.749 5.838 -3.102 1.00 0.00 C ATOM 642 C ARG A 57 -11.326 5.737 -2.570 1.00 0.00 C ATOM 643 O ARG A 57 -10.873 4.651 -2.215 1.00 0.00 O ATOM 644 CB ARG A 57 -13.741 5.725 -1.947 1.00 0.00 C ATOM 645 CG ARG A 57 -13.448 6.629 -0.763 1.00 0.00 C ATOM 646 CD ARG A 57 -13.885 5.950 0.516 1.00 0.00 C ATOM 647 NE ARG A 57 -13.753 6.794 1.698 1.00 0.00 N ATOM 648 CZ ARG A 57 -14.011 6.361 2.931 1.00 0.00 C ATOM 649 NH1 ARG A 57 -14.283 5.078 3.142 1.00 0.00 N ATOM 650 NH2 ARG A 57 -13.955 7.198 3.956 1.00 0.00 N ATOM 0 H ARG A 57 -12.862 3.832 -3.673 1.00 0.00 H new ATOM 0 HA ARG A 57 -12.858 6.801 -3.602 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -14.739 5.952 -2.321 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -13.758 4.691 -1.601 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -12.383 6.855 -0.721 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -13.971 7.578 -0.879 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -14.925 5.639 0.416 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -13.294 5.045 0.658 1.00 0.00 H new ATOM 0 HE ARG A 57 -13.449 7.760 1.575 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -14.294 4.424 2.360 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -14.480 4.747 4.086 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -13.714 8.177 3.802 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -14.153 6.863 4.899 1.00 0.00 H new ATOM 664 N LEU A 58 -10.639 6.868 -2.500 1.00 0.00 N ATOM 665 CA LEU A 58 -9.278 6.910 -1.978 1.00 0.00 C ATOM 666 C LEU A 58 -9.280 6.630 -0.484 1.00 0.00 C ATOM 667 O LEU A 58 -9.892 7.362 0.295 1.00 0.00 O ATOM 668 CB LEU A 58 -8.635 8.270 -2.263 1.00 0.00 C ATOM 669 CG LEU A 58 -7.609 8.273 -3.395 1.00 0.00 C ATOM 670 CD1 LEU A 58 -7.318 9.696 -3.847 1.00 0.00 C ATOM 671 CD2 LEU A 58 -6.324 7.598 -2.942 1.00 0.00 C ATOM 0 H LEU A 58 -11.002 7.773 -2.799 1.00 0.00 H new ATOM 0 HA LEU A 58 -8.691 6.140 -2.478 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -9.422 8.984 -2.504 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -8.151 8.624 -1.353 1.00 0.00 H new ATOM 0 HG LEU A 58 -8.023 7.718 -4.237 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.585 9.679 -4.654 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -8.238 10.160 -4.202 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.922 10.270 -3.009 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.601 7.607 -3.758 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.913 8.135 -2.087 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.536 6.568 -2.656 1.00 0.00 H new ATOM 683 N VAL A 59 -8.607 5.561 -0.090 1.00 0.00 N ATOM 684 CA VAL A 59 -8.595 5.152 1.302 1.00 0.00 C ATOM 685 C VAL A 59 -7.269 5.498 1.963 1.00 0.00 C ATOM 686 O VAL A 59 -7.180 5.540 3.189 1.00 0.00 O ATOM 687 CB VAL A 59 -8.871 3.641 1.465 1.00 0.00 C ATOM 688 CG1 VAL A 59 -10.165 3.262 0.775 1.00 0.00 C ATOM 689 CG2 VAL A 59 -7.719 2.806 0.930 1.00 0.00 C ATOM 0 H VAL A 59 -8.064 4.964 -0.713 1.00 0.00 H new ATOM 0 HA VAL A 59 -9.398 5.702 1.794 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.967 3.432 2.531 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -10.344 2.194 0.899 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -10.990 3.822 1.215 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -10.093 3.496 -0.287 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -7.946 1.748 1.060 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -7.577 3.019 -0.129 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -6.808 3.052 1.475 1.00 0.00 H new ATOM 699 N ALA A 60 -6.236 5.724 1.150 1.00 0.00 N ATOM 700 CA ALA A 60 -4.936 6.115 1.668 1.00 0.00 C ATOM 701 C ALA A 60 -3.960 6.473 0.565 1.00 0.00 C ATOM 702 O ALA A 60 -3.866 5.797 -0.458 1.00 0.00 O ATOM 703 CB ALA A 60 -4.343 5.009 2.517 1.00 0.00 C ATOM 0 H ALA A 60 -6.280 5.642 0.134 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.100 7.003 2.278 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.370 5.322 2.895 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.007 4.798 3.355 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.225 4.110 1.912 1.00 0.00 H new ATOM 709 N ILE A 61 -3.250 7.554 0.785 1.00 0.00 N ATOM 710 CA ILE A 61 -2.082 7.880 -0.008 1.00 0.00 C ATOM 711 C ILE A 61 -0.866 7.658 0.874 1.00 0.00 C ATOM 712 O ILE A 61 -0.681 8.359 1.868 1.00 0.00 O ATOM 713 CB ILE A 61 -2.080 9.338 -0.532 1.00 0.00 C ATOM 714 CG1 ILE A 61 -3.328 9.635 -1.373 1.00 0.00 C ATOM 715 CG2 ILE A 61 -0.825 9.590 -1.351 1.00 0.00 C ATOM 716 CD1 ILE A 61 -4.551 9.985 -0.555 1.00 0.00 C ATOM 0 H ILE A 61 -3.462 8.233 1.516 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.077 7.242 -0.892 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.093 10.006 0.329 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.109 10.460 -2.051 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.553 8.765 -1.991 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.829 10.617 -1.717 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.055 9.431 -0.727 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.799 8.904 -2.197 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -5.391 10.181 -1.222 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.798 9.153 0.104 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.347 10.873 0.043 1.00 0.00 H new ATOM 728 N CYS A 62 -0.057 6.673 0.542 1.00 0.00 N ATOM 729 CA CYS A 62 0.981 6.234 1.454 1.00 0.00 C ATOM 730 C CYS A 62 2.321 6.103 0.741 1.00 0.00 C ATOM 731 O CYS A 62 2.373 5.839 -0.459 1.00 0.00 O ATOM 732 CB CYS A 62 0.573 4.895 2.073 1.00 0.00 C ATOM 733 SG CYS A 62 1.425 4.503 3.628 1.00 0.00 S ATOM 0 H CYS A 62 -0.096 6.166 -0.342 1.00 0.00 H new ATOM 0 HA CYS A 62 1.098 6.980 2.240 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -0.502 4.903 2.253 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.770 4.100 1.354 1.00 0.00 H new ATOM 738 N LYS A 63 3.402 6.308 1.474 1.00 0.00 N ATOM 739 CA LYS A 63 4.737 6.143 0.924 1.00 0.00 C ATOM 740 C LYS A 63 5.696 5.711 2.024 1.00 0.00 C ATOM 741 O LYS A 63 5.383 5.821 3.208 1.00 0.00 O ATOM 742 CB LYS A 63 5.224 7.434 0.256 1.00 0.00 C ATOM 743 CG LYS A 63 5.588 8.538 1.235 1.00 0.00 C ATOM 744 CD LYS A 63 5.958 9.815 0.503 1.00 0.00 C ATOM 745 CE LYS A 63 4.728 10.520 -0.042 1.00 0.00 C ATOM 746 NZ LYS A 63 5.080 11.764 -0.776 1.00 0.00 N ATOM 0 H LYS A 63 3.381 6.590 2.454 1.00 0.00 H new ATOM 0 HA LYS A 63 4.703 5.369 0.157 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.095 7.206 -0.359 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.446 7.799 -0.415 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.748 8.728 1.903 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.423 8.216 1.857 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.491 10.482 1.180 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.638 9.582 -0.316 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.189 9.846 -0.708 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.055 10.762 0.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.213 12.214 -1.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.572 12.418 -0.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.702 11.531 -1.576 1.00 0.00 H new ATOM 760 N ASN A 64 6.851 5.202 1.628 1.00 0.00 N ATOM 761 CA ASN A 64 7.823 4.685 2.580 1.00 0.00 C ATOM 762 C ASN A 64 8.505 5.821 3.336 1.00 0.00 C ATOM 763 O ASN A 64 8.633 6.925 2.806 1.00 0.00 O ATOM 764 CB ASN A 64 8.866 3.840 1.848 1.00 0.00 C ATOM 765 CG ASN A 64 9.961 3.317 2.754 1.00 0.00 C ATOM 766 OD1 ASN A 64 9.730 2.948 3.904 1.00 0.00 O ATOM 767 ND2 ASN A 64 11.173 3.314 2.242 1.00 0.00 N ATOM 0 H ASN A 64 7.140 5.135 0.652 1.00 0.00 H new ATOM 0 HA ASN A 64 7.298 4.063 3.305 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.368 2.997 1.368 1.00 0.00 H new ATOM 0 HB3 ASN A 64 9.315 4.438 1.055 1.00 0.00 H new ATOM 0 HD21 ASN A 64 11.963 2.997 2.804 1.00 0.00 H new ATOM 0 HD22 ASN A 64 11.322 3.628 1.283 1.00 0.00 H new ATOM 774 N ALA A 65 8.916 5.547 4.566 1.00 0.00 N ATOM 775 CA ALA A 65 9.589 6.531 5.409 1.00 0.00 C ATOM 776 C ALA A 65 10.734 7.218 4.670 1.00 0.00 C ATOM 777 O ALA A 65 10.801 8.447 4.603 1.00 0.00 O ATOM 778 CB ALA A 65 10.108 5.856 6.670 1.00 0.00 C ATOM 0 H ALA A 65 8.793 4.637 5.010 1.00 0.00 H new ATOM 0 HA ALA A 65 8.863 7.299 5.677 1.00 0.00 H new ATOM 0 HB1 ALA A 65 10.610 6.593 7.297 1.00 0.00 H new ATOM 0 HB2 ALA A 65 9.273 5.420 7.219 1.00 0.00 H new ATOM 0 HB3 ALA A 65 10.813 5.070 6.398 1.00 0.00 H new ATOM 784 N SER A 66 11.619 6.416 4.104 1.00 0.00 N ATOM 785 CA SER A 66 12.781 6.939 3.415 1.00 0.00 C ATOM 786 C SER A 66 12.632 6.738 1.912 1.00 0.00 C ATOM 787 O SER A 66 12.163 5.697 1.457 1.00 0.00 O ATOM 788 CB SER A 66 14.050 6.245 3.925 1.00 0.00 C ATOM 789 OG SER A 66 15.219 6.847 3.390 1.00 0.00 O ATOM 0 H SER A 66 11.553 5.398 4.109 1.00 0.00 H new ATOM 0 HA SER A 66 12.863 8.007 3.616 1.00 0.00 H new ATOM 0 HB2 SER A 66 14.080 6.292 5.014 1.00 0.00 H new ATOM 0 HB3 SER A 66 14.024 5.190 3.652 1.00 0.00 H new ATOM 0 HG SER A 66 16.012 6.385 3.734 1.00 0.00 H new ATOM 795 N PRO A 67 13.024 7.738 1.118 1.00 0.00 N ATOM 796 CA PRO A 67 12.950 7.666 -0.342 1.00 0.00 C ATOM 797 C PRO A 67 14.039 6.783 -0.957 1.00 0.00 C ATOM 798 O PRO A 67 14.258 6.811 -2.167 1.00 0.00 O ATOM 799 CB PRO A 67 13.131 9.123 -0.770 1.00 0.00 C ATOM 800 CG PRO A 67 13.943 9.739 0.315 1.00 0.00 C ATOM 801 CD PRO A 67 13.548 9.037 1.585 1.00 0.00 C ATOM 0 HA PRO A 67 12.016 7.215 -0.677 1.00 0.00 H new ATOM 0 HB2 PRO A 67 13.638 9.193 -1.732 1.00 0.00 H new ATOM 0 HB3 PRO A 67 12.170 9.626 -0.879 1.00 0.00 H new ATOM 0 HG2 PRO A 67 15.009 9.619 0.119 1.00 0.00 H new ATOM 0 HG3 PRO A 67 13.750 10.809 0.386 1.00 0.00 H new ATOM 0 HD2 PRO A 67 14.400 8.908 2.253 1.00 0.00 H new ATOM 0 HD3 PRO A 67 12.793 9.599 2.135 1.00 0.00 H new ATOM 809 N VAL A 68 14.724 6.005 -0.123 1.00 0.00 N ATOM 810 CA VAL A 68 15.769 5.109 -0.601 1.00 0.00 C ATOM 811 C VAL A 68 15.539 3.687 -0.090 1.00 0.00 C ATOM 812 O VAL A 68 15.041 2.832 -0.821 1.00 0.00 O ATOM 813 CB VAL A 68 17.175 5.581 -0.184 1.00 0.00 C ATOM 814 CG1 VAL A 68 18.229 4.771 -0.908 1.00 0.00 C ATOM 815 CG2 VAL A 68 17.357 7.065 -0.462 1.00 0.00 C ATOM 0 H VAL A 68 14.573 5.978 0.885 1.00 0.00 H new ATOM 0 HA VAL A 68 15.717 5.120 -1.690 1.00 0.00 H new ATOM 0 HB VAL A 68 17.286 5.426 0.889 1.00 0.00 H new ATOM 0 HG11 VAL A 68 19.220 5.111 -0.607 1.00 0.00 H new ATOM 0 HG12 VAL A 68 18.115 3.717 -0.655 1.00 0.00 H new ATOM 0 HG13 VAL A 68 18.112 4.901 -1.984 1.00 0.00 H new ATOM 0 HG21 VAL A 68 18.358 7.372 -0.158 1.00 0.00 H new ATOM 0 HG22 VAL A 68 17.227 7.254 -1.528 1.00 0.00 H new ATOM 0 HG23 VAL A 68 16.617 7.634 0.100 1.00 0.00 H new ATOM 825 N HIS A 69 15.893 3.432 1.165 1.00 0.00 N ATOM 826 CA HIS A 69 15.678 2.112 1.754 1.00 0.00 C ATOM 827 C HIS A 69 14.311 2.079 2.418 1.00 0.00 C ATOM 828 O HIS A 69 13.780 3.120 2.804 1.00 0.00 O ATOM 829 CB HIS A 69 16.759 1.771 2.785 1.00 0.00 C ATOM 830 CG HIS A 69 18.163 1.960 2.293 1.00 0.00 C ATOM 831 ND1 HIS A 69 19.099 2.715 2.967 1.00 0.00 N ATOM 832 CD2 HIS A 69 18.790 1.485 1.191 1.00 0.00 C ATOM 833 CE1 HIS A 69 20.237 2.699 2.300 1.00 0.00 C ATOM 834 NE2 HIS A 69 20.077 1.960 1.221 1.00 0.00 N ATOM 0 H HIS A 69 16.326 4.113 1.790 1.00 0.00 H new ATOM 0 HA HIS A 69 15.731 1.369 0.958 1.00 0.00 H new ATOM 0 HB2 HIS A 69 16.610 2.391 3.669 1.00 0.00 H new ATOM 0 HB3 HIS A 69 16.632 0.734 3.097 1.00 0.00 H new ATOM 0 HD2 HIS A 69 18.358 0.851 0.431 1.00 0.00 H new ATOM 0 HE1 HIS A 69 21.146 3.206 2.589 1.00 0.00 H new ATOM 0 HE2 HIS A 69 20.794 1.771 0.521 1.00 0.00 H new ATOM 843 N CYS A 70 13.756 0.889 2.581 1.00 0.00 N ATOM 844 CA CYS A 70 12.387 0.753 3.057 1.00 0.00 C ATOM 845 C CYS A 70 12.355 0.477 4.551 1.00 0.00 C ATOM 846 O CYS A 70 13.144 -0.315 5.063 1.00 0.00 O ATOM 847 CB CYS A 70 11.664 -0.365 2.302 1.00 0.00 C ATOM 848 SG CYS A 70 9.883 -0.438 2.614 1.00 0.00 S ATOM 0 H CYS A 70 14.229 0.006 2.392 1.00 0.00 H new ATOM 0 HA CYS A 70 11.872 1.695 2.869 1.00 0.00 H new ATOM 0 HB2 CYS A 70 11.829 -0.232 1.233 1.00 0.00 H new ATOM 0 HB3 CYS A 70 12.109 -1.321 2.577 1.00 0.00 H new ATOM 0 HG CYS A 70 9.483 0.694 3.114 1.00 0.00 H new ATOM 854 N ASN A 71 11.443 1.144 5.244 1.00 0.00 N ATOM 855 CA ASN A 71 11.304 0.971 6.684 1.00 0.00 C ATOM 856 C ASN A 71 9.839 0.795 7.050 1.00 0.00 C ATOM 857 O ASN A 71 9.377 -0.314 7.315 1.00 0.00 O ATOM 858 CB ASN A 71 11.875 2.175 7.453 1.00 0.00 C ATOM 859 CG ASN A 71 13.319 2.491 7.107 1.00 0.00 C ATOM 860 OD1 ASN A 71 14.247 1.895 7.649 1.00 0.00 O ATOM 861 ND2 ASN A 71 13.517 3.457 6.222 1.00 0.00 N ATOM 0 H ASN A 71 10.788 1.810 4.833 1.00 0.00 H new ATOM 0 HA ASN A 71 11.867 0.081 6.965 1.00 0.00 H new ATOM 0 HB2 ASN A 71 11.261 3.051 7.246 1.00 0.00 H new ATOM 0 HB3 ASN A 71 11.801 1.980 8.523 1.00 0.00 H new ATOM 0 HD21 ASN A 71 14.467 3.730 5.969 1.00 0.00 H new ATOM 0 HD22 ASN A 71 12.720 3.928 5.794 1.00 0.00 H new ATOM 868 N TYR A 72 9.109 1.902 7.042 1.00 0.00 N ATOM 869 CA TYR A 72 7.705 1.910 7.423 1.00 0.00 C ATOM 870 C TYR A 72 6.913 2.712 6.413 1.00 0.00 C ATOM 871 O TYR A 72 7.485 3.476 5.636 1.00 0.00 O ATOM 872 CB TYR A 72 7.521 2.539 8.807 1.00 0.00 C ATOM 873 CG TYR A 72 8.562 2.110 9.812 1.00 0.00 C ATOM 874 CD1 TYR A 72 8.611 0.803 10.266 1.00 0.00 C ATOM 875 CD2 TYR A 72 9.497 3.013 10.305 1.00 0.00 C ATOM 876 CE1 TYR A 72 9.564 0.401 11.179 1.00 0.00 C ATOM 877 CE2 TYR A 72 10.454 2.620 11.219 1.00 0.00 C ATOM 878 CZ TYR A 72 10.483 1.314 11.653 1.00 0.00 C ATOM 879 OH TYR A 72 11.441 0.912 12.558 1.00 0.00 O ATOM 0 H TYR A 72 9.472 2.816 6.772 1.00 0.00 H new ATOM 0 HA TYR A 72 7.351 0.880 7.451 1.00 0.00 H new ATOM 0 HB2 TYR A 72 7.548 3.624 8.710 1.00 0.00 H new ATOM 0 HB3 TYR A 72 6.533 2.278 9.187 1.00 0.00 H new ATOM 0 HD1 TYR A 72 7.891 0.086 9.899 1.00 0.00 H new ATOM 0 HD2 TYR A 72 9.474 4.039 9.967 1.00 0.00 H new ATOM 0 HE1 TYR A 72 9.590 -0.623 11.521 1.00 0.00 H new ATOM 0 HE2 TYR A 72 11.175 3.333 11.591 1.00 0.00 H new ATOM 0 HH TYR A 72 12.011 1.674 12.791 1.00 0.00 H new ATOM 889 N LEU A 73 5.609 2.557 6.442 1.00 0.00 N ATOM 890 CA LEU A 73 4.741 3.288 5.540 1.00 0.00 C ATOM 891 C LEU A 73 4.045 4.430 6.264 1.00 0.00 C ATOM 892 O LEU A 73 3.390 4.227 7.289 1.00 0.00 O ATOM 893 CB LEU A 73 3.702 2.360 4.906 1.00 0.00 C ATOM 894 CG LEU A 73 4.243 1.387 3.858 1.00 0.00 C ATOM 895 CD1 LEU A 73 3.095 0.708 3.128 1.00 0.00 C ATOM 896 CD2 LEU A 73 5.159 2.108 2.878 1.00 0.00 C ATOM 0 H LEU A 73 5.122 1.929 7.082 1.00 0.00 H new ATOM 0 HA LEU A 73 5.364 3.704 4.748 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.223 1.785 5.698 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.928 2.972 4.443 1.00 0.00 H new ATOM 0 HG LEU A 73 4.829 0.620 4.364 1.00 0.00 H new ATOM 0 HD11 LEU A 73 3.494 0.018 2.385 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.484 0.157 3.843 1.00 0.00 H new ATOM 0 HD13 LEU A 73 2.483 1.461 2.632 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.534 1.398 2.140 1.00 0.00 H new ATOM 0 HD22 LEU A 73 4.602 2.897 2.372 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.998 2.546 3.419 1.00 0.00 H new ATOM 908 N LYS A 74 4.215 5.632 5.736 1.00 0.00 N ATOM 909 CA LYS A 74 3.521 6.800 6.248 1.00 0.00 C ATOM 910 C LYS A 74 2.361 7.132 5.330 1.00 0.00 C ATOM 911 O LYS A 74 2.554 7.620 4.214 1.00 0.00 O ATOM 912 CB LYS A 74 4.464 8.002 6.368 1.00 0.00 C ATOM 913 CG LYS A 74 5.269 8.026 7.660 1.00 0.00 C ATOM 914 CD LYS A 74 6.297 6.908 7.724 1.00 0.00 C ATOM 915 CE LYS A 74 7.007 6.881 9.070 1.00 0.00 C ATOM 916 NZ LYS A 74 7.673 8.177 9.380 1.00 0.00 N ATOM 0 H LYS A 74 4.833 5.823 4.947 1.00 0.00 H new ATOM 0 HA LYS A 74 3.148 6.574 7.247 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.152 7.998 5.523 1.00 0.00 H new ATOM 0 HB3 LYS A 74 3.879 8.919 6.298 1.00 0.00 H new ATOM 0 HG2 LYS A 74 5.775 8.987 7.751 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.591 7.941 8.509 1.00 0.00 H new ATOM 0 HD2 LYS A 74 5.806 5.950 7.551 1.00 0.00 H new ATOM 0 HD3 LYS A 74 7.029 7.039 6.927 1.00 0.00 H new ATOM 0 HE2 LYS A 74 6.287 6.648 9.854 1.00 0.00 H new ATOM 0 HE3 LYS A 74 7.750 6.083 9.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 8.281 8.064 10.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 8.252 8.473 8.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 6.951 8.901 9.572 1.00 0.00 H new ATOM 930 N CYS A 75 1.162 6.831 5.789 1.00 0.00 N ATOM 931 CA CYS A 75 -0.024 7.009 4.976 1.00 0.00 C ATOM 932 C CYS A 75 -0.783 8.254 5.395 1.00 0.00 C ATOM 933 O CYS A 75 -0.676 8.705 6.537 1.00 0.00 O ATOM 934 CB CYS A 75 -0.934 5.795 5.118 1.00 0.00 C ATOM 935 SG CYS A 75 -0.088 4.185 4.949 1.00 0.00 S ATOM 0 H CYS A 75 0.984 6.461 6.723 1.00 0.00 H new ATOM 0 HA CYS A 75 0.287 7.119 3.937 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -1.420 5.834 6.093 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -1.721 5.858 4.366 1.00 0.00 H new ATOM 940 N THR A 76 -1.548 8.808 4.475 1.00 0.00 N ATOM 941 CA THR A 76 -2.389 9.941 4.786 1.00 0.00 C ATOM 942 C THR A 76 -3.772 9.763 4.164 1.00 0.00 C ATOM 943 O THR A 76 -3.926 9.025 3.184 1.00 0.00 O ATOM 944 CB THR A 76 -1.744 11.261 4.305 1.00 0.00 C ATOM 945 OG1 THR A 76 -2.403 12.384 4.898 1.00 0.00 O ATOM 946 CG2 THR A 76 -1.792 11.387 2.788 1.00 0.00 C ATOM 0 H THR A 76 -1.603 8.490 3.507 1.00 0.00 H new ATOM 0 HA THR A 76 -2.497 9.995 5.869 1.00 0.00 H new ATOM 0 HB THR A 76 -0.699 11.245 4.616 1.00 0.00 H new ATOM 0 HG1 THR A 76 -1.983 13.212 4.586 1.00 0.00 H new ATOM 0 HG21 THR A 76 -1.330 12.327 2.486 1.00 0.00 H new ATOM 0 HG22 THR A 76 -1.251 10.555 2.337 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.829 11.369 2.454 1.00 0.00 H new ATOM 954 N ASN A 77 -4.770 10.414 4.766 1.00 0.00 N ATOM 955 CA ASN A 77 -6.153 10.373 4.281 1.00 0.00 C ATOM 956 C ASN A 77 -6.741 8.971 4.403 1.00 0.00 C ATOM 957 O ASN A 77 -7.368 8.475 3.465 1.00 0.00 O ATOM 958 CB ASN A 77 -6.251 10.847 2.823 1.00 0.00 C ATOM 959 CG ASN A 77 -5.889 12.309 2.648 1.00 0.00 C ATOM 960 OD1 ASN A 77 -6.087 13.124 3.547 1.00 0.00 O ATOM 961 ND2 ASN A 77 -5.357 12.652 1.485 1.00 0.00 N ATOM 0 H ASN A 77 -4.643 10.984 5.602 1.00 0.00 H new ATOM 0 HA ASN A 77 -6.729 11.053 4.909 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -5.591 10.239 2.204 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -7.266 10.684 2.462 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -5.096 13.622 1.310 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -5.209 11.946 0.764 1.00 0.00 H new ATOM 968 N LEU A 78 -6.544 8.343 5.561 1.00 0.00 N ATOM 969 CA LEU A 78 -7.053 6.993 5.800 1.00 0.00 C ATOM 970 C LEU A 78 -8.581 6.960 5.776 1.00 0.00 C ATOM 971 O LEU A 78 -9.242 7.969 6.030 1.00 0.00 O ATOM 972 CB LEU A 78 -6.547 6.451 7.139 1.00 0.00 C ATOM 973 CG LEU A 78 -5.032 6.273 7.240 1.00 0.00 C ATOM 974 CD1 LEU A 78 -4.655 5.688 8.589 1.00 0.00 C ATOM 975 CD2 LEU A 78 -4.522 5.384 6.119 1.00 0.00 C ATOM 0 H LEU A 78 -6.036 8.747 6.348 1.00 0.00 H new ATOM 0 HA LEU A 78 -6.681 6.359 4.995 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.871 7.126 7.931 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.023 5.488 7.326 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.565 7.253 7.143 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.573 5.568 8.644 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -4.986 6.359 9.382 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -5.135 4.717 8.711 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.442 5.270 6.208 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -4.997 4.405 6.186 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.760 5.838 5.157 1.00 0.00 H new ATOM 987 N ALA A 79 -9.134 5.793 5.481 1.00 0.00 N ATOM 988 CA ALA A 79 -10.577 5.634 5.384 1.00 0.00 C ATOM 989 C ALA A 79 -11.120 4.814 6.547 1.00 0.00 C ATOM 990 O ALA A 79 -11.703 3.750 6.346 1.00 0.00 O ATOM 991 CB ALA A 79 -10.947 4.984 4.061 1.00 0.00 C ATOM 0 H ALA A 79 -8.603 4.940 5.304 1.00 0.00 H new ATOM 0 HA ALA A 79 -11.030 6.624 5.431 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -12.029 4.871 4.001 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -10.602 5.611 3.239 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.475 4.004 3.993 1.00 0.00 H new ATOM 997 N ALA A 80 -10.908 5.319 7.760 1.00 0.00 N ATOM 998 CA ALA A 80 -11.388 4.680 8.989 1.00 0.00 C ATOM 999 C ALA A 80 -10.847 3.256 9.153 1.00 0.00 C ATOM 1000 O ALA A 80 -9.781 3.054 9.737 1.00 0.00 O ATOM 1001 CB ALA A 80 -12.910 4.691 9.045 1.00 0.00 C ATOM 0 H ALA A 80 -10.397 6.187 7.922 1.00 0.00 H new ATOM 0 HA ALA A 80 -11.004 5.265 9.825 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -13.244 4.212 9.965 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -13.268 5.720 9.022 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -13.310 4.149 8.188 1.00 0.00 H new ATOM 1007 N GLY A 81 -11.576 2.276 8.631 1.00 0.00 N ATOM 1008 CA GLY A 81 -11.158 0.893 8.745 1.00 0.00 C ATOM 1009 C GLY A 81 -10.107 0.530 7.719 1.00 0.00 C ATOM 1010 O GLY A 81 -9.448 -0.504 7.832 1.00 0.00 O ATOM 0 H GLY A 81 -12.453 2.417 8.129 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -10.764 0.715 9.746 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -12.024 0.242 8.623 1.00 0.00 H new ATOM 1014 N PHE A 82 -9.957 1.377 6.710 1.00 0.00 N ATOM 1015 CA PHE A 82 -8.943 1.174 5.690 1.00 0.00 C ATOM 1016 C PHE A 82 -7.639 1.838 6.102 1.00 0.00 C ATOM 1017 O PHE A 82 -7.587 3.047 6.339 1.00 0.00 O ATOM 1018 CB PHE A 82 -9.409 1.726 4.342 1.00 0.00 C ATOM 1019 CG PHE A 82 -10.600 1.009 3.773 1.00 0.00 C ATOM 1020 CD1 PHE A 82 -10.438 -0.156 3.040 1.00 0.00 C ATOM 1021 CD2 PHE A 82 -11.879 1.499 3.972 1.00 0.00 C ATOM 1022 CE1 PHE A 82 -11.531 -0.817 2.516 1.00 0.00 C ATOM 1023 CE2 PHE A 82 -12.976 0.841 3.452 1.00 0.00 C ATOM 1024 CZ PHE A 82 -12.801 -0.319 2.723 1.00 0.00 C ATOM 0 H PHE A 82 -10.527 2.212 6.578 1.00 0.00 H new ATOM 0 HA PHE A 82 -8.777 0.102 5.585 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -9.653 2.782 4.457 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -8.586 1.665 3.630 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -9.446 -0.551 2.877 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -12.021 2.406 4.540 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -11.392 -1.723 1.945 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -13.969 1.233 3.615 1.00 0.00 H new ATOM 0 HZ PHE A 82 -13.657 -0.836 2.315 1.00 0.00 H new ATOM 1034 N SER A 83 -6.596 1.035 6.210 1.00 0.00 N ATOM 1035 CA SER A 83 -5.272 1.516 6.566 1.00 0.00 C ATOM 1036 C SER A 83 -4.244 0.649 5.856 1.00 0.00 C ATOM 1037 O SER A 83 -4.610 -0.336 5.234 1.00 0.00 O ATOM 1038 CB SER A 83 -5.089 1.454 8.084 1.00 0.00 C ATOM 1039 OG SER A 83 -6.126 2.166 8.746 1.00 0.00 O ATOM 0 H SER A 83 -6.643 0.028 6.053 1.00 0.00 H new ATOM 0 HA SER A 83 -5.145 2.554 6.257 1.00 0.00 H new ATOM 0 HB2 SER A 83 -5.088 0.415 8.413 1.00 0.00 H new ATOM 0 HB3 SER A 83 -4.121 1.875 8.356 1.00 0.00 H new ATOM 0 HG SER A 83 -5.992 2.113 9.715 1.00 0.00 H new ATOM 1045 N ALA A 84 -2.974 1.002 5.924 1.00 0.00 N ATOM 1046 CA ALA A 84 -1.956 0.234 5.221 1.00 0.00 C ATOM 1047 C ALA A 84 -1.071 -0.534 6.200 1.00 0.00 C ATOM 1048 O ALA A 84 -1.204 -0.390 7.419 1.00 0.00 O ATOM 1049 CB ALA A 84 -1.123 1.146 4.331 1.00 0.00 C ATOM 0 H ALA A 84 -2.623 1.803 6.450 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.458 -0.498 4.588 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -0.367 0.557 3.813 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.770 1.630 3.600 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -0.635 1.905 4.943 1.00 0.00 H new ATOM 1055 N GLY A 85 -0.176 -1.349 5.661 1.00 0.00 N ATOM 1056 CA GLY A 85 0.686 -2.169 6.485 1.00 0.00 C ATOM 1057 C GLY A 85 2.079 -2.282 5.912 1.00 0.00 C ATOM 1058 O GLY A 85 2.388 -1.666 4.895 1.00 0.00 O ATOM 0 H GLY A 85 -0.031 -1.457 4.657 1.00 0.00 H new ATOM 0 HA2 GLY A 85 0.740 -1.744 7.487 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.253 -3.164 6.584 1.00 0.00 H new ATOM 1062 N THR A 86 2.903 -3.093 6.555 1.00 0.00 N ATOM 1063 CA THR A 86 4.299 -3.255 6.170 1.00 0.00 C ATOM 1064 C THR A 86 4.429 -3.923 4.796 1.00 0.00 C ATOM 1065 O THR A 86 3.446 -4.385 4.212 1.00 0.00 O ATOM 1066 CB THR A 86 5.050 -4.087 7.233 1.00 0.00 C ATOM 1067 OG1 THR A 86 6.460 -4.103 6.966 1.00 0.00 O ATOM 1068 CG2 THR A 86 4.520 -5.511 7.271 1.00 0.00 C ATOM 0 H THR A 86 2.625 -3.658 7.358 1.00 0.00 H new ATOM 0 HA THR A 86 4.744 -2.262 6.105 1.00 0.00 H new ATOM 0 HB THR A 86 4.881 -3.619 8.203 1.00 0.00 H new ATOM 0 HG1 THR A 86 6.917 -4.634 7.652 1.00 0.00 H new ATOM 0 HG21 THR A 86 5.062 -6.081 8.026 1.00 0.00 H new ATOM 0 HG22 THR A 86 3.459 -5.498 7.519 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.659 -5.977 6.296 1.00 0.00 H new ATOM 1076 N SER A 87 5.650 -3.972 4.293 1.00 0.00 N ATOM 1077 CA SER A 87 5.917 -4.515 2.973 1.00 0.00 C ATOM 1078 C SER A 87 6.671 -5.838 3.076 1.00 0.00 C ATOM 1079 O SER A 87 7.519 -6.008 3.953 1.00 0.00 O ATOM 1080 CB SER A 87 6.716 -3.501 2.157 1.00 0.00 C ATOM 1081 OG SER A 87 7.826 -3.014 2.894 1.00 0.00 O ATOM 0 H SER A 87 6.479 -3.639 4.784 1.00 0.00 H new ATOM 0 HA SER A 87 4.970 -4.709 2.470 1.00 0.00 H new ATOM 0 HB2 SER A 87 7.064 -3.965 1.234 1.00 0.00 H new ATOM 0 HB3 SER A 87 6.071 -2.669 1.872 1.00 0.00 H new ATOM 0 HG SER A 87 8.160 -2.192 2.478 1.00 0.00 H new ATOM 1087 N THR A 88 6.366 -6.764 2.177 1.00 0.00 N ATOM 1088 CA THR A 88 6.934 -8.107 2.231 1.00 0.00 C ATOM 1089 C THR A 88 7.276 -8.625 0.837 1.00 0.00 C ATOM 1090 O THR A 88 7.548 -7.843 -0.079 1.00 0.00 O ATOM 1091 CB THR A 88 5.943 -9.085 2.878 1.00 0.00 C ATOM 1092 OG1 THR A 88 4.673 -8.978 2.225 1.00 0.00 O ATOM 1093 CG2 THR A 88 5.781 -8.812 4.364 1.00 0.00 C ATOM 0 H THR A 88 5.726 -6.610 1.398 1.00 0.00 H new ATOM 0 HA THR A 88 7.845 -8.044 2.826 1.00 0.00 H new ATOM 0 HB THR A 88 6.337 -10.095 2.764 1.00 0.00 H new ATOM 0 HG1 THR A 88 4.316 -8.074 2.349 1.00 0.00 H new ATOM 0 HG21 THR A 88 5.073 -9.523 4.789 1.00 0.00 H new ATOM 0 HG22 THR A 88 6.745 -8.919 4.861 1.00 0.00 H new ATOM 0 HG23 THR A 88 5.409 -7.798 4.509 1.00 0.00 H new ATOM 1101 N ASP A 89 7.293 -9.956 0.715 1.00 0.00 N ATOM 1102 CA ASP A 89 7.386 -10.657 -0.568 1.00 0.00 C ATOM 1103 C ASP A 89 8.756 -10.496 -1.208 1.00 0.00 C ATOM 1104 O ASP A 89 9.595 -11.390 -1.128 1.00 0.00 O ATOM 1105 CB ASP A 89 6.293 -10.175 -1.524 1.00 0.00 C ATOM 1106 CG ASP A 89 6.169 -11.035 -2.763 1.00 0.00 C ATOM 1107 OD1 ASP A 89 5.546 -12.110 -2.673 1.00 0.00 O ATOM 1108 OD2 ASP A 89 6.670 -10.630 -3.832 1.00 0.00 O ATOM 0 H ASP A 89 7.242 -10.585 1.516 1.00 0.00 H new ATOM 0 HA ASP A 89 7.241 -11.719 -0.367 1.00 0.00 H new ATOM 0 HB2 ASP A 89 5.338 -10.164 -0.999 1.00 0.00 H new ATOM 0 HB3 ASP A 89 6.505 -9.148 -1.821 1.00 0.00 H new ATOM 1113 N VAL A 90 8.988 -9.346 -1.812 1.00 0.00 N ATOM 1114 CA VAL A 90 10.220 -9.099 -2.526 1.00 0.00 C ATOM 1115 C VAL A 90 11.396 -8.909 -1.570 1.00 0.00 C ATOM 1116 O VAL A 90 12.508 -9.355 -1.848 1.00 0.00 O ATOM 1117 CB VAL A 90 10.084 -7.869 -3.439 1.00 0.00 C ATOM 1118 CG1 VAL A 90 9.230 -8.205 -4.649 1.00 0.00 C ATOM 1119 CG2 VAL A 90 9.482 -6.699 -2.675 1.00 0.00 C ATOM 0 H VAL A 90 8.332 -8.565 -1.820 1.00 0.00 H new ATOM 0 HA VAL A 90 10.419 -9.977 -3.140 1.00 0.00 H new ATOM 0 HB VAL A 90 11.078 -7.581 -3.781 1.00 0.00 H new ATOM 0 HG11 VAL A 90 9.141 -7.326 -5.287 1.00 0.00 H new ATOM 0 HG12 VAL A 90 9.696 -9.015 -5.210 1.00 0.00 H new ATOM 0 HG13 VAL A 90 8.238 -8.516 -4.320 1.00 0.00 H new ATOM 0 HG21 VAL A 90 9.394 -5.838 -3.338 1.00 0.00 H new ATOM 0 HG22 VAL A 90 8.494 -6.975 -2.306 1.00 0.00 H new ATOM 0 HG23 VAL A 90 10.126 -6.444 -1.833 1.00 0.00 H new ATOM 1129 N LEU A 91 11.144 -8.241 -0.451 1.00 0.00 N ATOM 1130 CA LEU A 91 12.194 -7.963 0.522 1.00 0.00 C ATOM 1131 C LEU A 91 12.326 -9.068 1.569 1.00 0.00 C ATOM 1132 O LEU A 91 13.411 -9.284 2.109 1.00 0.00 O ATOM 1133 CB LEU A 91 11.945 -6.608 1.188 1.00 0.00 C ATOM 1134 CG LEU A 91 10.590 -6.439 1.877 1.00 0.00 C ATOM 1135 CD1 LEU A 91 10.671 -6.816 3.348 1.00 0.00 C ATOM 1136 CD2 LEU A 91 10.098 -5.016 1.717 1.00 0.00 C ATOM 0 H LEU A 91 10.224 -7.882 -0.195 1.00 0.00 H new ATOM 0 HA LEU A 91 13.141 -7.929 -0.017 1.00 0.00 H new ATOM 0 HB2 LEU A 91 12.729 -6.438 1.926 1.00 0.00 H new ATOM 0 HB3 LEU A 91 12.045 -5.830 0.432 1.00 0.00 H new ATOM 0 HG LEU A 91 9.878 -7.113 1.400 1.00 0.00 H new ATOM 0 HD11 LEU A 91 9.693 -6.686 3.811 1.00 0.00 H new ATOM 0 HD12 LEU A 91 10.981 -7.857 3.440 1.00 0.00 H new ATOM 0 HD13 LEU A 91 11.398 -6.176 3.848 1.00 0.00 H new ATOM 0 HD21 LEU A 91 9.133 -4.907 2.211 1.00 0.00 H new ATOM 0 HD22 LEU A 91 10.816 -4.330 2.167 1.00 0.00 H new ATOM 0 HD23 LEU A 91 9.991 -4.785 0.657 1.00 0.00 H new ATOM 1148 N SER A 92 11.227 -9.748 1.883 1.00 0.00 N ATOM 1149 CA SER A 92 11.268 -10.805 2.884 1.00 0.00 C ATOM 1150 C SER A 92 11.466 -12.181 2.243 1.00 0.00 C ATOM 1151 O SER A 92 12.571 -12.725 2.255 1.00 0.00 O ATOM 1152 CB SER A 92 9.994 -10.774 3.733 1.00 0.00 C ATOM 1153 OG SER A 92 8.832 -10.753 2.917 1.00 0.00 O ATOM 0 H SER A 92 10.310 -9.588 1.465 1.00 0.00 H new ATOM 0 HA SER A 92 12.126 -10.626 3.532 1.00 0.00 H new ATOM 0 HB2 SER A 92 9.967 -11.647 4.385 1.00 0.00 H new ATOM 0 HB3 SER A 92 10.005 -9.895 4.377 1.00 0.00 H new ATOM 0 HG SER A 92 8.146 -11.332 3.310 1.00 0.00 H new ATOM 1159 N SER A 93 10.410 -12.731 1.662 1.00 0.00 N ATOM 1160 CA SER A 93 10.479 -14.051 1.055 1.00 0.00 C ATOM 1161 C SER A 93 9.363 -14.229 0.029 1.00 0.00 C ATOM 1162 O SER A 93 9.622 -14.550 -1.132 1.00 0.00 O ATOM 1163 CB SER A 93 10.387 -15.133 2.138 1.00 0.00 C ATOM 1164 OG SER A 93 10.541 -16.433 1.591 1.00 0.00 O ATOM 0 H SER A 93 9.496 -12.283 1.598 1.00 0.00 H new ATOM 0 HA SER A 93 11.435 -14.148 0.541 1.00 0.00 H new ATOM 0 HB2 SER A 93 11.156 -14.961 2.891 1.00 0.00 H new ATOM 0 HB3 SER A 93 9.424 -15.062 2.643 1.00 0.00 H new ATOM 0 HG SER A 93 10.479 -17.099 2.307 1.00 0.00 H new ATOM 1170 N GLY A 94 8.126 -14.009 0.454 1.00 0.00 N ATOM 1171 CA GLY A 94 7.007 -14.138 -0.453 1.00 0.00 C ATOM 1172 C GLY A 94 5.675 -14.005 0.250 1.00 0.00 C ATOM 1173 O GLY A 94 5.496 -14.514 1.358 1.00 0.00 O ATOM 0 H GLY A 94 7.880 -13.744 1.408 1.00 0.00 H new ATOM 0 HA2 GLY A 94 7.083 -13.376 -1.229 1.00 0.00 H new ATOM 0 HA3 GLY A 94 7.057 -15.106 -0.951 1.00 0.00 H new ATOM 1177 N THR A 95 4.752 -13.297 -0.382 1.00 0.00 N ATOM 1178 CA THR A 95 3.398 -13.154 0.133 1.00 0.00 C ATOM 1179 C THR A 95 2.383 -13.226 -1.005 1.00 0.00 C ATOM 1180 O THR A 95 1.255 -12.748 -0.879 1.00 0.00 O ATOM 1181 CB THR A 95 3.210 -11.834 0.910 1.00 0.00 C ATOM 1182 OG1 THR A 95 3.829 -10.747 0.209 1.00 0.00 O ATOM 1183 CG2 THR A 95 3.795 -11.937 2.307 1.00 0.00 C ATOM 0 H THR A 95 4.918 -12.808 -1.261 1.00 0.00 H new ATOM 0 HA THR A 95 3.231 -13.979 0.825 1.00 0.00 H new ATOM 0 HB THR A 95 2.140 -11.646 0.992 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.150 -10.083 0.854 1.00 0.00 H new ATOM 0 HG21 THR A 95 3.649 -10.994 2.833 1.00 0.00 H new ATOM 0 HG22 THR A 95 3.295 -12.738 2.853 1.00 0.00 H new ATOM 0 HG23 THR A 95 4.861 -12.154 2.240 1.00 0.00 H new ATOM 1191 N VAL A 96 2.810 -13.834 -2.115 1.00 0.00 N ATOM 1192 CA VAL A 96 1.995 -13.970 -3.326 1.00 0.00 C ATOM 1193 C VAL A 96 1.767 -12.616 -4.001 1.00 0.00 C ATOM 1194 O VAL A 96 2.351 -12.327 -5.048 1.00 0.00 O ATOM 1195 CB VAL A 96 0.633 -14.656 -3.051 1.00 0.00 C ATOM 1196 CG1 VAL A 96 -0.170 -14.810 -4.336 1.00 0.00 C ATOM 1197 CG2 VAL A 96 0.838 -16.012 -2.388 1.00 0.00 C ATOM 0 H VAL A 96 3.738 -14.249 -2.200 1.00 0.00 H new ATOM 0 HA VAL A 96 2.561 -14.612 -4.001 1.00 0.00 H new ATOM 0 HB VAL A 96 0.068 -14.019 -2.370 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -1.121 -15.294 -4.115 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -0.355 -13.827 -4.769 1.00 0.00 H new ATOM 0 HG13 VAL A 96 0.391 -15.419 -5.045 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -0.130 -16.477 -2.203 1.00 0.00 H new ATOM 0 HG22 VAL A 96 1.429 -16.652 -3.043 1.00 0.00 H new ATOM 0 HG23 VAL A 96 1.363 -15.879 -1.442 1.00 0.00 H new ATOM 1207 N GLY A 97 0.934 -11.786 -3.394 1.00 0.00 N ATOM 1208 CA GLY A 97 0.629 -10.491 -3.958 1.00 0.00 C ATOM 1209 C GLY A 97 -0.826 -10.131 -3.767 1.00 0.00 C ATOM 1210 O GLY A 97 -1.357 -10.248 -2.660 1.00 0.00 O ATOM 0 H GLY A 97 0.461 -11.989 -2.514 1.00 0.00 H new ATOM 0 HA2 GLY A 97 1.257 -9.733 -3.490 1.00 0.00 H new ATOM 0 HA3 GLY A 97 0.868 -10.491 -5.021 1.00 0.00 H new ATOM 1214 N SER A 98 -1.469 -9.688 -4.841 1.00 0.00 N ATOM 1215 CA SER A 98 -2.887 -9.341 -4.822 1.00 0.00 C ATOM 1216 C SER A 98 -3.447 -9.368 -6.242 1.00 0.00 C ATOM 1217 O SER A 98 -3.305 -8.359 -6.958 1.00 0.00 O ATOM 1218 CB SER A 98 -3.103 -7.957 -4.197 1.00 0.00 C ATOM 1219 OG SER A 98 -2.620 -7.919 -2.863 1.00 0.00 O ATOM 1220 OXT SER A 98 -4.006 -10.413 -6.646 1.00 0.00 O ATOM 0 H SER A 98 -1.023 -9.559 -5.749 1.00 0.00 H new ATOM 0 HA SER A 98 -3.414 -10.076 -4.213 1.00 0.00 H new ATOM 0 HB2 SER A 98 -2.592 -7.201 -4.794 1.00 0.00 H new ATOM 0 HB3 SER A 98 -4.165 -7.710 -4.210 1.00 0.00 H new ATOM 0 HG SER A 98 -2.463 -8.833 -2.546 1.00 0.00 H new TER 1226 SER A 98