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 24 ASN : amide:sc= -4.61! K(o=-8.9!,f=-8.4) USER MOD Set 1.2: A 26 HIS : no HD1:sc= -0.0757 K(o=-8.9,f=-14!) USER MOD Set 1.3: A 36 THR OG1 : rot -51:sc= -1.95 USER MOD Set 1.4: A 88 THR OG1 : rot -62:sc= -0.218 USER MOD Set 1.5: A 95 THR OG1 : rot -149:sc= -2.08! USER MOD Set 2.1: A 33 HIS : no HE2:sc= -0.0393 K(o=-0.75,f=-2.5) USER MOD Set 2.2: A 98 SER OG : rot -149:sc= -0.714 USER MOD Set 3.1: A 23 CYS SG : rot 180:sc= -0.559 USER MOD Set 3.2: A 25 HIS : no HD1:sc= -0.715 K(o=-1.2,f=-0.53) USER MOD Set 3.3: A 87 SER OG : rot -128:sc= 0.0351 USER MOD Single : A 19 SER OG : rot -32:sc= 0.141 USER MOD Single : A 22 GLN : amide:sc= -3.37! K(o=-3.4!,f=-0.043) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -1.13 K(o=-1.1,f=-1.8!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -176:sc= 0.0119 (180deg=0.0104) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 LYS NZ :NH3+ -156:sc= 0.659 (180deg=0.354) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -0.992 K(o=-0.99,f=-9.3!) USER MOD Single : A 66 SER OG : rot 170:sc= 0.389 USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 CYS SG : rot 38:sc= -1.17 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= 0.476 X(o=0.48,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.112 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot -11:sc= 0.968 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 19 19.962 -0.428 -3.371 1.00 0.00 N ATOM 2 CA SER A 19 19.637 1.002 -3.522 1.00 0.00 C ATOM 3 C SER A 19 18.142 1.219 -3.320 1.00 0.00 C ATOM 4 O SER A 19 17.511 0.488 -2.552 1.00 0.00 O ATOM 5 CB SER A 19 20.085 1.491 -4.905 1.00 0.00 C ATOM 6 OG SER A 19 19.548 0.689 -5.944 1.00 0.00 O ATOM 0 HA SER A 19 20.168 1.579 -2.765 1.00 0.00 H new ATOM 0 HB2 SER A 19 19.771 2.525 -5.045 1.00 0.00 H new ATOM 0 HB3 SER A 19 21.173 1.478 -4.961 1.00 0.00 H new ATOM 0 HG SER A 19 19.455 -0.234 -5.629 1.00 0.00 H new ATOM 14 N PHE A 20 17.583 2.229 -3.983 1.00 0.00 N ATOM 15 CA PHE A 20 16.150 2.480 -3.921 1.00 0.00 C ATOM 16 C PHE A 20 15.372 1.264 -4.405 1.00 0.00 C ATOM 17 O PHE A 20 15.660 0.699 -5.462 1.00 0.00 O ATOM 18 CB PHE A 20 15.770 3.733 -4.722 1.00 0.00 C ATOM 19 CG PHE A 20 16.367 3.798 -6.103 1.00 0.00 C ATOM 20 CD1 PHE A 20 17.632 4.329 -6.297 1.00 0.00 C ATOM 21 CD2 PHE A 20 15.662 3.336 -7.203 1.00 0.00 C ATOM 22 CE1 PHE A 20 18.184 4.397 -7.561 1.00 0.00 C ATOM 23 CE2 PHE A 20 16.209 3.403 -8.469 1.00 0.00 C ATOM 24 CZ PHE A 20 17.473 3.934 -8.649 1.00 0.00 C ATOM 0 H PHE A 20 18.102 2.884 -4.568 1.00 0.00 H new ATOM 0 HA PHE A 20 15.884 2.663 -2.880 1.00 0.00 H new ATOM 0 HB2 PHE A 20 14.684 3.779 -4.807 1.00 0.00 H new ATOM 0 HB3 PHE A 20 16.083 4.615 -4.163 1.00 0.00 H new ATOM 0 HD1 PHE A 20 18.193 4.694 -5.449 1.00 0.00 H new ATOM 0 HD2 PHE A 20 14.675 2.919 -7.069 1.00 0.00 H new ATOM 0 HE1 PHE A 20 19.172 4.812 -7.698 1.00 0.00 H new ATOM 0 HE2 PHE A 20 15.650 3.041 -9.319 1.00 0.00 H new ATOM 0 HZ PHE A 20 17.903 3.986 -9.639 1.00 0.00 H new ATOM 34 N VAL A 21 14.389 0.869 -3.620 1.00 0.00 N ATOM 35 CA VAL A 21 13.699 -0.390 -3.836 1.00 0.00 C ATOM 36 C VAL A 21 12.196 -0.191 -4.030 1.00 0.00 C ATOM 37 O VAL A 21 11.572 0.645 -3.376 1.00 0.00 O ATOM 38 CB VAL A 21 13.977 -1.359 -2.662 1.00 0.00 C ATOM 39 CG1 VAL A 21 13.816 -0.638 -1.339 1.00 0.00 C ATOM 40 CG2 VAL A 21 13.076 -2.583 -2.710 1.00 0.00 C ATOM 0 H VAL A 21 14.048 1.405 -2.822 1.00 0.00 H new ATOM 0 HA VAL A 21 14.086 -0.828 -4.756 1.00 0.00 H new ATOM 0 HB VAL A 21 15.005 -1.707 -2.759 1.00 0.00 H new ATOM 0 HG11 VAL A 21 14.014 -1.330 -0.521 1.00 0.00 H new ATOM 0 HG12 VAL A 21 14.520 0.193 -1.290 1.00 0.00 H new ATOM 0 HG13 VAL A 21 12.798 -0.257 -1.254 1.00 0.00 H new ATOM 0 HG21 VAL A 21 13.305 -3.236 -1.868 1.00 0.00 H new ATOM 0 HG22 VAL A 21 12.033 -2.270 -2.654 1.00 0.00 H new ATOM 0 HG23 VAL A 21 13.243 -3.121 -3.643 1.00 0.00 H new ATOM 50 N GLN A 22 11.632 -0.946 -4.964 1.00 0.00 N ATOM 51 CA GLN A 22 10.197 -0.949 -5.195 1.00 0.00 C ATOM 52 C GLN A 22 9.572 -2.159 -4.517 1.00 0.00 C ATOM 53 O GLN A 22 10.167 -3.235 -4.485 1.00 0.00 O ATOM 54 CB GLN A 22 9.895 -0.943 -6.703 1.00 0.00 C ATOM 55 CG GLN A 22 10.730 -1.927 -7.518 1.00 0.00 C ATOM 56 CD GLN A 22 9.972 -3.175 -7.946 1.00 0.00 C ATOM 57 OE1 GLN A 22 10.258 -3.754 -8.991 1.00 0.00 O ATOM 58 NE2 GLN A 22 9.009 -3.608 -7.151 1.00 0.00 N ATOM 0 H GLN A 22 12.155 -1.570 -5.579 1.00 0.00 H new ATOM 0 HA GLN A 22 9.762 -0.046 -4.765 1.00 0.00 H new ATOM 0 HB2 GLN A 22 8.840 -1.172 -6.851 1.00 0.00 H new ATOM 0 HB3 GLN A 22 10.060 0.062 -7.090 1.00 0.00 H new ATOM 0 HG2 GLN A 22 11.106 -1.420 -8.407 1.00 0.00 H new ATOM 0 HG3 GLN A 22 11.598 -2.225 -6.930 1.00 0.00 H new ATOM 0 HE21 GLN A 22 8.794 -3.106 -6.289 1.00 0.00 H new ATOM 0 HE22 GLN A 22 8.480 -4.444 -7.399 1.00 0.00 H new ATOM 67 N CYS A 23 8.379 -1.989 -3.975 1.00 0.00 N ATOM 68 CA CYS A 23 7.739 -3.056 -3.224 1.00 0.00 C ATOM 69 C CYS A 23 6.221 -2.951 -3.290 1.00 0.00 C ATOM 70 O CYS A 23 5.674 -1.890 -3.584 1.00 0.00 O ATOM 71 CB CYS A 23 8.210 -2.999 -1.774 1.00 0.00 C ATOM 72 SG CYS A 23 8.091 -1.356 -1.026 1.00 0.00 S ATOM 0 H CYS A 23 7.836 -1.128 -4.040 1.00 0.00 H new ATOM 0 HA CYS A 23 8.020 -4.011 -3.668 1.00 0.00 H new ATOM 0 HB2 CYS A 23 7.620 -3.700 -1.183 1.00 0.00 H new ATOM 0 HB3 CYS A 23 9.246 -3.335 -1.726 1.00 0.00 H new ATOM 0 HG CYS A 23 8.510 -1.408 0.203 1.00 0.00 H new ATOM 78 N ASN A 24 5.542 -4.061 -3.025 1.00 0.00 N ATOM 79 CA ASN A 24 4.088 -4.063 -2.987 1.00 0.00 C ATOM 80 C ASN A 24 3.607 -3.566 -1.636 1.00 0.00 C ATOM 81 O ASN A 24 3.899 -4.163 -0.601 1.00 0.00 O ATOM 82 CB ASN A 24 3.503 -5.455 -3.287 1.00 0.00 C ATOM 83 CG ASN A 24 4.318 -6.601 -2.710 1.00 0.00 C ATOM 84 OD1 ASN A 24 4.177 -6.958 -1.539 1.00 0.00 O ATOM 85 ND2 ASN A 24 5.156 -7.210 -3.541 1.00 0.00 N ATOM 0 H ASN A 24 5.974 -4.965 -2.835 1.00 0.00 H new ATOM 0 HA ASN A 24 3.734 -3.391 -3.769 1.00 0.00 H new ATOM 0 HB2 ASN A 24 2.489 -5.506 -2.889 1.00 0.00 H new ATOM 0 HB3 ASN A 24 3.428 -5.582 -4.367 1.00 0.00 H new ATOM 0 HD21 ASN A 24 5.710 -8.002 -3.216 1.00 0.00 H new ATOM 0 HD22 ASN A 24 5.245 -6.885 -4.504 1.00 0.00 H new ATOM 92 N HIS A 25 2.895 -2.448 -1.653 1.00 0.00 N ATOM 93 CA HIS A 25 2.379 -1.844 -0.432 1.00 0.00 C ATOM 94 C HIS A 25 1.052 -2.494 -0.079 1.00 0.00 C ATOM 95 O HIS A 25 0.112 -2.453 -0.870 1.00 0.00 O ATOM 96 CB HIS A 25 2.187 -0.330 -0.605 1.00 0.00 C ATOM 97 CG HIS A 25 3.433 0.427 -0.973 1.00 0.00 C ATOM 98 ND1 HIS A 25 4.621 -0.181 -1.305 1.00 0.00 N ATOM 99 CD2 HIS A 25 3.662 1.760 -1.066 1.00 0.00 C ATOM 100 CE1 HIS A 25 5.526 0.738 -1.585 1.00 0.00 C ATOM 101 NE2 HIS A 25 4.971 1.928 -1.450 1.00 0.00 N ATOM 0 H HIS A 25 2.660 -1.938 -2.505 1.00 0.00 H new ATOM 0 HA HIS A 25 3.099 -2.004 0.371 1.00 0.00 H new ATOM 0 HB2 HIS A 25 1.435 -0.159 -1.375 1.00 0.00 H new ATOM 0 HB3 HIS A 25 1.791 0.080 0.324 1.00 0.00 H new ATOM 0 HD2 HIS A 25 2.947 2.546 -0.874 1.00 0.00 H new ATOM 0 HE1 HIS A 25 6.549 0.548 -1.876 1.00 0.00 H new ATOM 0 HE2 HIS A 25 5.436 2.823 -1.605 1.00 0.00 H new ATOM 110 N HIS A 26 0.982 -3.116 1.086 1.00 0.00 N ATOM 111 CA HIS A 26 -0.207 -3.864 1.478 1.00 0.00 C ATOM 112 C HIS A 26 -1.190 -2.980 2.230 1.00 0.00 C ATOM 113 O HIS A 26 -0.818 -2.287 3.180 1.00 0.00 O ATOM 114 CB HIS A 26 0.170 -5.078 2.339 1.00 0.00 C ATOM 115 CG HIS A 26 0.861 -6.171 1.580 1.00 0.00 C ATOM 116 ND1 HIS A 26 0.542 -7.504 1.715 1.00 0.00 N ATOM 117 CD2 HIS A 26 1.863 -6.119 0.672 1.00 0.00 C ATOM 118 CE1 HIS A 26 1.316 -8.221 0.921 1.00 0.00 C ATOM 119 NE2 HIS A 26 2.123 -7.402 0.277 1.00 0.00 N ATOM 0 H HIS A 26 1.732 -3.120 1.778 1.00 0.00 H new ATOM 0 HA HIS A 26 -0.688 -4.216 0.565 1.00 0.00 H new ATOM 0 HB2 HIS A 26 0.818 -4.748 3.151 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -0.734 -5.482 2.796 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.365 -5.228 0.324 1.00 0.00 H new ATOM 0 HE1 HIS A 26 1.292 -9.296 0.817 1.00 0.00 H new ATOM 0 HE2 HIS A 26 2.828 -7.680 -0.406 1.00 0.00 H new ATOM 128 N LEU A 27 -2.443 -3.023 1.802 1.00 0.00 N ATOM 129 CA LEU A 27 -3.512 -2.295 2.462 1.00 0.00 C ATOM 130 C LEU A 27 -4.245 -3.258 3.385 1.00 0.00 C ATOM 131 O LEU A 27 -4.691 -4.332 2.956 1.00 0.00 O ATOM 132 CB LEU A 27 -4.477 -1.705 1.415 1.00 0.00 C ATOM 133 CG LEU A 27 -5.393 -0.559 1.884 1.00 0.00 C ATOM 134 CD1 LEU A 27 -6.376 -1.022 2.945 1.00 0.00 C ATOM 135 CD2 LEU A 27 -4.570 0.605 2.410 1.00 0.00 C ATOM 0 H LEU A 27 -2.745 -3.562 0.990 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.103 -1.468 3.043 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.886 -1.345 0.573 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.107 -2.512 1.040 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.965 -0.228 1.018 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.004 -0.185 3.249 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.002 -1.816 2.539 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.828 -1.398 3.809 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.236 1.404 2.736 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.964 0.271 3.252 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -3.918 0.976 1.619 1.00 0.00 H new ATOM 147 N LEU A 28 -4.355 -2.875 4.645 1.00 0.00 N ATOM 148 CA LEU A 28 -4.938 -3.727 5.656 1.00 0.00 C ATOM 149 C LEU A 28 -6.286 -3.183 6.105 1.00 0.00 C ATOM 150 O LEU A 28 -6.385 -2.096 6.678 1.00 0.00 O ATOM 151 CB LEU A 28 -4.004 -3.840 6.859 1.00 0.00 C ATOM 152 CG LEU A 28 -3.710 -5.265 7.317 1.00 0.00 C ATOM 153 CD1 LEU A 28 -4.992 -6.026 7.601 1.00 0.00 C ATOM 154 CD2 LEU A 28 -2.871 -5.983 6.275 1.00 0.00 C ATOM 0 H LEU A 28 -4.043 -1.968 4.991 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.084 -4.716 5.222 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.061 -3.351 6.614 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.441 -3.290 7.692 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.145 -5.218 8.248 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.750 -7.038 7.925 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.551 -5.517 8.386 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.597 -6.070 6.695 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.666 -7.000 6.610 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.414 -6.015 5.330 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.930 -5.450 6.135 1.00 0.00 H new ATOM 166 N TYR A 29 -7.316 -3.953 5.853 1.00 0.00 N ATOM 167 CA TYR A 29 -8.654 -3.602 6.282 1.00 0.00 C ATOM 168 C TYR A 29 -8.914 -4.288 7.610 1.00 0.00 C ATOM 169 O TYR A 29 -8.551 -5.450 7.774 1.00 0.00 O ATOM 170 CB TYR A 29 -9.674 -4.042 5.222 1.00 0.00 C ATOM 171 CG TYR A 29 -11.121 -3.874 5.637 1.00 0.00 C ATOM 172 CD1 TYR A 29 -11.639 -2.623 5.953 1.00 0.00 C ATOM 173 CD2 TYR A 29 -11.971 -4.970 5.702 1.00 0.00 C ATOM 174 CE1 TYR A 29 -12.964 -2.472 6.323 1.00 0.00 C ATOM 175 CE2 TYR A 29 -13.294 -4.827 6.072 1.00 0.00 C ATOM 176 CZ TYR A 29 -13.787 -3.578 6.380 1.00 0.00 C ATOM 177 OH TYR A 29 -15.108 -3.440 6.747 1.00 0.00 O ATOM 0 H TYR A 29 -7.255 -4.837 5.348 1.00 0.00 H new ATOM 0 HA TYR A 29 -8.751 -2.523 6.404 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -9.502 -3.470 4.310 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -9.498 -5.090 4.979 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -10.997 -1.755 5.909 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -11.591 -5.951 5.459 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -13.352 -1.494 6.566 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -13.940 -5.691 6.120 1.00 0.00 H new ATOM 0 HH TYR A 29 -15.544 -4.317 6.734 1.00 0.00 H new ATOM 187 N ASN A 30 -9.482 -3.561 8.568 1.00 0.00 N ATOM 188 CA ASN A 30 -9.779 -4.135 9.877 1.00 0.00 C ATOM 189 C ASN A 30 -10.610 -5.399 9.722 1.00 0.00 C ATOM 190 O ASN A 30 -11.818 -5.349 9.482 1.00 0.00 O ATOM 191 CB ASN A 30 -10.482 -3.127 10.790 1.00 0.00 C ATOM 192 CG ASN A 30 -9.550 -2.019 11.250 1.00 0.00 C ATOM 193 OD1 ASN A 30 -8.330 -2.189 11.273 1.00 0.00 O ATOM 194 ND2 ASN A 30 -10.114 -0.890 11.646 1.00 0.00 N ATOM 0 H ASN A 30 -9.744 -2.581 8.464 1.00 0.00 H new ATOM 0 HA ASN A 30 -8.833 -4.395 10.351 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -11.329 -2.690 10.261 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -10.883 -3.646 11.660 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -9.535 -0.122 11.985 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -11.128 -0.787 11.612 1.00 0.00 H new ATOM 201 N GLY A 31 -9.931 -6.526 9.855 1.00 0.00 N ATOM 202 CA GLY A 31 -10.513 -7.809 9.541 1.00 0.00 C ATOM 203 C GLY A 31 -9.498 -8.702 8.858 1.00 0.00 C ATOM 204 O GLY A 31 -9.193 -9.791 9.351 1.00 0.00 O ATOM 0 H GLY A 31 -8.966 -6.572 10.182 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -10.869 -8.286 10.454 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -11.379 -7.673 8.894 1.00 0.00 H new ATOM 208 N ARG A 32 -8.940 -8.217 7.748 1.00 0.00 N ATOM 209 CA ARG A 32 -7.932 -8.953 6.991 1.00 0.00 C ATOM 210 C ARG A 32 -7.393 -8.101 5.832 1.00 0.00 C ATOM 211 O ARG A 32 -7.999 -7.095 5.461 1.00 0.00 O ATOM 212 CB ARG A 32 -8.522 -10.268 6.448 1.00 0.00 C ATOM 213 CG ARG A 32 -7.502 -11.164 5.758 1.00 0.00 C ATOM 214 CD ARG A 32 -6.405 -11.601 6.714 1.00 0.00 C ATOM 215 NE ARG A 32 -5.276 -12.213 6.016 1.00 0.00 N ATOM 216 CZ ARG A 32 -4.130 -12.553 6.609 1.00 0.00 C ATOM 217 NH1 ARG A 32 -3.979 -12.390 7.920 1.00 0.00 N ATOM 218 NH2 ARG A 32 -3.137 -13.065 5.887 1.00 0.00 N ATOM 0 H ARG A 32 -9.174 -7.307 7.351 1.00 0.00 H new ATOM 0 HA ARG A 32 -7.106 -9.187 7.663 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -8.976 -10.819 7.272 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -9.320 -10.033 5.744 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.004 -12.043 5.353 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -7.061 -10.632 4.915 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -6.055 -10.739 7.281 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -6.814 -12.311 7.433 1.00 0.00 H new ATOM 0 HE ARG A 32 -5.370 -12.391 5.016 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -4.741 -12.004 8.477 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -3.101 -12.651 8.369 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -3.252 -13.197 4.882 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -2.260 -13.326 6.338 1.00 0.00 H new ATOM 232 N HIS A 33 -6.227 -8.497 5.312 1.00 0.00 N ATOM 233 CA HIS A 33 -5.647 -7.940 4.087 1.00 0.00 C ATOM 234 C HIS A 33 -6.710 -7.638 3.030 1.00 0.00 C ATOM 235 O HIS A 33 -7.562 -8.479 2.737 1.00 0.00 O ATOM 236 CB HIS A 33 -4.628 -8.952 3.540 1.00 0.00 C ATOM 237 CG HIS A 33 -4.323 -8.828 2.072 1.00 0.00 C ATOM 238 ND1 HIS A 33 -5.020 -9.519 1.104 1.00 0.00 N ATOM 239 CD2 HIS A 33 -3.389 -8.106 1.410 1.00 0.00 C ATOM 240 CE1 HIS A 33 -4.526 -9.231 -0.081 1.00 0.00 C ATOM 241 NE2 HIS A 33 -3.535 -8.376 0.071 1.00 0.00 N ATOM 0 H HIS A 33 -5.652 -9.224 5.737 1.00 0.00 H new ATOM 0 HA HIS A 33 -5.165 -6.992 4.325 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -3.698 -8.844 4.098 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -5.000 -9.958 3.733 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -5.798 -10.155 1.279 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -2.663 -7.440 1.853 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -4.875 -9.629 -1.022 1.00 0.00 H new ATOM 250 N TRP A 34 -6.642 -6.443 2.456 1.00 0.00 N ATOM 251 CA TRP A 34 -7.572 -6.058 1.408 1.00 0.00 C ATOM 252 C TRP A 34 -6.918 -6.192 0.033 1.00 0.00 C ATOM 253 O TRP A 34 -7.439 -6.876 -0.846 1.00 0.00 O ATOM 254 CB TRP A 34 -8.062 -4.623 1.625 1.00 0.00 C ATOM 255 CG TRP A 34 -9.321 -4.315 0.872 1.00 0.00 C ATOM 256 CD1 TRP A 34 -10.599 -4.460 1.329 1.00 0.00 C ATOM 257 CD2 TRP A 34 -9.426 -3.821 -0.470 1.00 0.00 C ATOM 258 NE1 TRP A 34 -11.492 -4.089 0.355 1.00 0.00 N ATOM 259 CE2 TRP A 34 -10.797 -3.693 -0.758 1.00 0.00 C ATOM 260 CE3 TRP A 34 -8.495 -3.475 -1.455 1.00 0.00 C ATOM 261 CZ2 TRP A 34 -11.261 -3.234 -1.989 1.00 0.00 C ATOM 262 CZ3 TRP A 34 -8.957 -3.019 -2.676 1.00 0.00 C ATOM 263 CH2 TRP A 34 -10.329 -2.904 -2.932 1.00 0.00 C ATOM 0 H TRP A 34 -5.955 -5.729 2.699 1.00 0.00 H new ATOM 0 HA TRP A 34 -8.430 -6.728 1.450 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -8.232 -4.460 2.689 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -7.281 -3.928 1.317 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -10.868 -4.815 2.313 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -12.508 -4.105 0.445 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -7.435 -3.562 -1.265 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -12.318 -3.142 -2.190 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -8.248 -2.747 -3.444 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -10.658 -2.546 -3.897 1.00 0.00 H new ATOM 274 N GLY A 35 -5.772 -5.544 -0.149 1.00 0.00 N ATOM 275 CA GLY A 35 -5.088 -5.600 -1.434 1.00 0.00 C ATOM 276 C GLY A 35 -3.677 -5.051 -1.360 1.00 0.00 C ATOM 277 O GLY A 35 -3.222 -4.655 -0.284 1.00 0.00 O ATOM 0 H GLY A 35 -5.305 -4.984 0.564 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.056 -6.633 -1.781 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.657 -5.034 -2.171 1.00 0.00 H new ATOM 281 N THR A 36 -2.969 -5.045 -2.490 1.00 0.00 N ATOM 282 CA THR A 36 -1.615 -4.510 -2.536 1.00 0.00 C ATOM 283 C THR A 36 -1.257 -4.017 -3.943 1.00 0.00 C ATOM 284 O THR A 36 -1.747 -4.550 -4.941 1.00 0.00 O ATOM 285 CB THR A 36 -0.579 -5.559 -2.064 1.00 0.00 C ATOM 286 OG1 THR A 36 0.684 -4.929 -1.843 1.00 0.00 O ATOM 287 CG2 THR A 36 -0.408 -6.675 -3.081 1.00 0.00 C ATOM 0 H THR A 36 -3.312 -5.404 -3.381 1.00 0.00 H new ATOM 0 HA THR A 36 -1.583 -3.661 -1.854 1.00 0.00 H new ATOM 0 HB THR A 36 -0.950 -5.994 -1.136 1.00 0.00 H new ATOM 0 HG1 THR A 36 0.929 -4.401 -2.632 1.00 0.00 H new ATOM 0 HG21 THR A 36 0.327 -7.392 -2.715 1.00 0.00 H new ATOM 0 HG22 THR A 36 -1.363 -7.179 -3.232 1.00 0.00 H new ATOM 0 HG23 THR A 36 -0.065 -6.256 -4.027 1.00 0.00 H new ATOM 295 N ILE A 37 -0.428 -2.977 -4.010 1.00 0.00 N ATOM 296 CA ILE A 37 0.066 -2.454 -5.280 1.00 0.00 C ATOM 297 C ILE A 37 1.572 -2.219 -5.174 1.00 0.00 C ATOM 298 O ILE A 37 2.052 -1.712 -4.156 1.00 0.00 O ATOM 299 CB ILE A 37 -0.609 -1.112 -5.697 1.00 0.00 C ATOM 300 CG1 ILE A 37 -2.138 -1.223 -5.787 1.00 0.00 C ATOM 301 CG2 ILE A 37 -0.055 -0.631 -7.033 1.00 0.00 C ATOM 302 CD1 ILE A 37 -2.848 -1.121 -4.454 1.00 0.00 C ATOM 0 H ILE A 37 -0.082 -2.477 -3.191 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.176 -3.197 -6.040 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.376 -0.389 -4.915 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -2.510 -0.437 -6.445 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.395 -2.175 -6.251 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.536 0.307 -7.310 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.020 -0.475 -6.946 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -0.252 -1.380 -7.800 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.924 -1.209 -4.607 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.508 -1.923 -3.798 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -2.624 -0.158 -3.995 1.00 0.00 H new ATOM 314 N ARG A 38 2.320 -2.603 -6.202 1.00 0.00 N ATOM 315 CA ARG A 38 3.757 -2.365 -6.220 1.00 0.00 C ATOM 316 C ARG A 38 4.075 -0.917 -6.567 1.00 0.00 C ATOM 317 O ARG A 38 3.560 -0.364 -7.541 1.00 0.00 O ATOM 318 CB ARG A 38 4.469 -3.302 -7.197 1.00 0.00 C ATOM 319 CG ARG A 38 4.835 -4.644 -6.589 1.00 0.00 C ATOM 320 CD ARG A 38 5.705 -5.467 -7.529 1.00 0.00 C ATOM 321 NE ARG A 38 4.997 -5.835 -8.754 1.00 0.00 N ATOM 322 CZ ARG A 38 5.579 -5.995 -9.945 1.00 0.00 C ATOM 323 NH1 ARG A 38 6.891 -5.845 -10.081 1.00 0.00 N ATOM 324 NH2 ARG A 38 4.841 -6.323 -10.996 1.00 0.00 N ATOM 0 H ARG A 38 1.957 -3.078 -7.029 1.00 0.00 H new ATOM 0 HA ARG A 38 4.124 -2.571 -5.215 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.828 -3.467 -8.063 1.00 0.00 H new ATOM 0 HB3 ARG A 38 5.375 -2.816 -7.559 1.00 0.00 H new ATOM 0 HG2 ARG A 38 5.363 -4.486 -5.649 1.00 0.00 H new ATOM 0 HG3 ARG A 38 3.926 -5.198 -6.355 1.00 0.00 H new ATOM 0 HD2 ARG A 38 6.599 -4.899 -7.785 1.00 0.00 H new ATOM 0 HD3 ARG A 38 6.037 -6.370 -7.017 1.00 0.00 H new ATOM 0 HE ARG A 38 3.989 -5.979 -8.695 1.00 0.00 H new ATOM 0 HH11 ARG A 38 7.464 -5.605 -9.272 1.00 0.00 H new ATOM 0 HH12 ARG A 38 7.327 -5.969 -10.995 1.00 0.00 H new ATOM 0 HH21 ARG A 38 3.834 -6.452 -10.892 1.00 0.00 H new ATOM 0 HH22 ARG A 38 5.280 -6.447 -11.909 1.00 0.00 H new ATOM 338 N LYS A 39 4.921 -0.311 -5.753 1.00 0.00 N ATOM 339 CA LYS A 39 5.348 1.058 -5.970 1.00 0.00 C ATOM 340 C LYS A 39 6.754 1.247 -5.416 1.00 0.00 C ATOM 341 O LYS A 39 7.138 0.591 -4.444 1.00 0.00 O ATOM 342 CB LYS A 39 4.373 2.032 -5.298 1.00 0.00 C ATOM 343 CG LYS A 39 4.598 3.487 -5.686 1.00 0.00 C ATOM 344 CD LYS A 39 4.378 3.709 -7.178 1.00 0.00 C ATOM 345 CE LYS A 39 2.917 3.525 -7.564 1.00 0.00 C ATOM 346 NZ LYS A 39 2.723 3.540 -9.038 1.00 0.00 N ATOM 0 H LYS A 39 5.329 -0.751 -4.928 1.00 0.00 H new ATOM 0 HA LYS A 39 5.356 1.266 -7.040 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.353 1.749 -5.559 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.464 1.935 -4.216 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.920 4.125 -5.119 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.613 3.783 -5.419 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.702 4.714 -7.448 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.995 3.012 -7.745 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.552 2.581 -7.160 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.320 4.317 -7.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.714 3.412 -9.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.047 4.451 -9.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.271 2.768 -9.468 1.00 0.00 H new ATOM 360 N LYS A 40 7.521 2.123 -6.046 1.00 0.00 N ATOM 361 CA LYS A 40 8.886 2.402 -5.618 1.00 0.00 C ATOM 362 C LYS A 40 8.874 3.239 -4.346 1.00 0.00 C ATOM 363 O LYS A 40 7.944 4.014 -4.114 1.00 0.00 O ATOM 364 CB LYS A 40 9.646 3.144 -6.720 1.00 0.00 C ATOM 365 CG LYS A 40 9.575 2.468 -8.080 1.00 0.00 C ATOM 366 CD LYS A 40 10.418 3.204 -9.110 1.00 0.00 C ATOM 367 CE LYS A 40 11.890 3.199 -8.726 1.00 0.00 C ATOM 368 NZ LYS A 40 12.735 3.873 -9.749 1.00 0.00 N ATOM 0 H LYS A 40 7.220 2.657 -6.861 1.00 0.00 H new ATOM 0 HA LYS A 40 9.389 1.456 -5.418 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.246 4.154 -6.806 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.691 3.239 -6.426 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.920 1.438 -7.994 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.539 2.430 -8.416 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.293 2.736 -10.086 1.00 0.00 H new ATOM 0 HD3 LYS A 40 10.068 4.232 -9.202 1.00 0.00 H new ATOM 0 HE2 LYS A 40 12.016 3.699 -7.765 1.00 0.00 H new ATOM 0 HE3 LYS A 40 12.228 2.171 -8.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 13.737 3.788 -9.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 12.584 3.424 -10.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 12.476 4.879 -9.806 1.00 0.00 H new ATOM 382 N ALA A 41 9.899 3.066 -3.521 1.00 0.00 N ATOM 383 CA ALA A 41 10.033 3.834 -2.293 1.00 0.00 C ATOM 384 C ALA A 41 10.152 5.322 -2.594 1.00 0.00 C ATOM 385 O ALA A 41 10.829 5.723 -3.542 1.00 0.00 O ATOM 386 CB ALA A 41 11.236 3.353 -1.503 1.00 0.00 C ATOM 0 H ALA A 41 10.652 2.397 -3.683 1.00 0.00 H new ATOM 0 HA ALA A 41 9.136 3.682 -1.693 1.00 0.00 H new ATOM 0 HB1 ALA A 41 11.326 3.936 -0.586 1.00 0.00 H new ATOM 0 HB2 ALA A 41 11.110 2.300 -1.253 1.00 0.00 H new ATOM 0 HB3 ALA A 41 12.138 3.478 -2.102 1.00 0.00 H new ATOM 392 N GLY A 42 9.480 6.132 -1.788 1.00 0.00 N ATOM 393 CA GLY A 42 9.459 7.565 -2.007 1.00 0.00 C ATOM 394 C GLY A 42 8.261 8.000 -2.826 1.00 0.00 C ATOM 395 O GLY A 42 7.831 9.151 -2.751 1.00 0.00 O ATOM 0 H GLY A 42 8.944 5.819 -0.979 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.445 8.078 -1.045 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.374 7.867 -2.516 1.00 0.00 H new ATOM 399 N TRP A 43 7.720 7.076 -3.604 1.00 0.00 N ATOM 400 CA TRP A 43 6.564 7.355 -4.440 1.00 0.00 C ATOM 401 C TRP A 43 5.309 6.802 -3.783 1.00 0.00 C ATOM 402 O TRP A 43 5.314 5.685 -3.257 1.00 0.00 O ATOM 403 CB TRP A 43 6.754 6.742 -5.831 1.00 0.00 C ATOM 404 CG TRP A 43 8.012 7.195 -6.506 1.00 0.00 C ATOM 405 CD1 TRP A 43 9.251 6.636 -6.385 1.00 0.00 C ATOM 406 CD2 TRP A 43 8.161 8.309 -7.393 1.00 0.00 C ATOM 407 NE1 TRP A 43 10.160 7.330 -7.142 1.00 0.00 N ATOM 408 CE2 TRP A 43 9.516 8.361 -7.771 1.00 0.00 C ATOM 409 CE3 TRP A 43 7.283 9.264 -7.907 1.00 0.00 C ATOM 410 CZ2 TRP A 43 10.012 9.332 -8.636 1.00 0.00 C ATOM 411 CZ3 TRP A 43 7.777 10.228 -8.765 1.00 0.00 C ATOM 412 CH2 TRP A 43 9.131 10.252 -9.123 1.00 0.00 C ATOM 0 H TRP A 43 8.067 6.119 -3.674 1.00 0.00 H new ATOM 0 HA TRP A 43 6.458 8.434 -4.552 1.00 0.00 H new ATOM 0 HB2 TRP A 43 6.766 5.656 -5.744 1.00 0.00 H new ATOM 0 HB3 TRP A 43 5.900 7.002 -6.456 1.00 0.00 H new ATOM 0 HD1 TRP A 43 9.482 5.772 -5.780 1.00 0.00 H new ATOM 0 HE1 TRP A 43 11.153 7.113 -7.223 1.00 0.00 H new ATOM 0 HE3 TRP A 43 6.237 9.250 -7.639 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 11.056 9.356 -8.911 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 7.108 10.975 -9.166 1.00 0.00 H new ATOM 0 HH2 TRP A 43 9.485 11.016 -9.800 1.00 0.00 H new ATOM 423 N ALA A 44 4.243 7.590 -3.794 1.00 0.00 N ATOM 424 CA ALA A 44 2.999 7.180 -3.169 1.00 0.00 C ATOM 425 C ALA A 44 2.192 6.288 -4.092 1.00 0.00 C ATOM 426 O ALA A 44 2.323 6.342 -5.317 1.00 0.00 O ATOM 427 CB ALA A 44 2.178 8.384 -2.749 1.00 0.00 C ATOM 0 H ALA A 44 4.217 8.513 -4.228 1.00 0.00 H new ATOM 0 HA ALA A 44 3.252 6.608 -2.276 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.251 8.048 -2.284 1.00 0.00 H new ATOM 0 HB2 ALA A 44 2.746 8.981 -2.036 1.00 0.00 H new ATOM 0 HB3 ALA A 44 1.945 8.989 -3.625 1.00 0.00 H new ATOM 433 N VAL A 45 1.356 5.477 -3.482 1.00 0.00 N ATOM 434 CA VAL A 45 0.537 4.523 -4.199 1.00 0.00 C ATOM 435 C VAL A 45 -0.925 4.703 -3.801 1.00 0.00 C ATOM 436 O VAL A 45 -1.226 5.138 -2.683 1.00 0.00 O ATOM 437 CB VAL A 45 1.000 3.077 -3.909 1.00 0.00 C ATOM 438 CG1 VAL A 45 0.711 2.685 -2.470 1.00 0.00 C ATOM 439 CG2 VAL A 45 0.357 2.096 -4.871 1.00 0.00 C ATOM 0 H VAL A 45 1.224 5.460 -2.471 1.00 0.00 H new ATOM 0 HA VAL A 45 0.642 4.703 -5.269 1.00 0.00 H new ATOM 0 HB VAL A 45 2.079 3.041 -4.057 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.048 1.663 -2.297 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.238 3.360 -1.796 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -0.361 2.750 -2.283 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.700 1.086 -4.645 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.727 2.143 -4.768 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.635 2.353 -5.893 1.00 0.00 H new ATOM 449 N ARG A 46 -1.826 4.398 -4.723 1.00 0.00 N ATOM 450 CA ARG A 46 -3.246 4.596 -4.487 1.00 0.00 C ATOM 451 C ARG A 46 -3.862 3.396 -3.770 1.00 0.00 C ATOM 452 O ARG A 46 -3.571 2.243 -4.097 1.00 0.00 O ATOM 453 CB ARG A 46 -3.990 4.866 -5.813 1.00 0.00 C ATOM 454 CG ARG A 46 -4.505 3.617 -6.538 1.00 0.00 C ATOM 455 CD ARG A 46 -3.387 2.763 -7.129 1.00 0.00 C ATOM 456 NE ARG A 46 -3.882 1.462 -7.585 1.00 0.00 N ATOM 457 CZ ARG A 46 -3.605 0.921 -8.774 1.00 0.00 C ATOM 458 NH1 ARG A 46 -2.906 1.598 -9.679 1.00 0.00 N ATOM 459 NH2 ARG A 46 -4.045 -0.298 -9.056 1.00 0.00 N ATOM 0 H ARG A 46 -1.598 4.013 -5.640 1.00 0.00 H new ATOM 0 HA ARG A 46 -3.354 5.468 -3.843 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -4.836 5.523 -5.609 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.321 5.406 -6.483 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -5.085 3.013 -5.840 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -5.182 3.921 -7.336 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -2.929 3.291 -7.965 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -2.608 2.614 -6.381 1.00 0.00 H new ATOM 0 HE ARG A 46 -4.480 0.933 -6.950 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -2.576 2.540 -9.468 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -2.700 1.176 -10.584 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -4.591 -0.815 -8.367 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -3.838 -0.718 -9.962 1.00 0.00 H new ATOM 473 N PHE A 47 -4.685 3.672 -2.773 1.00 0.00 N ATOM 474 CA PHE A 47 -5.505 2.645 -2.159 1.00 0.00 C ATOM 475 C PHE A 47 -6.956 3.085 -2.184 1.00 0.00 C ATOM 476 O PHE A 47 -7.282 4.196 -1.762 1.00 0.00 O ATOM 477 CB PHE A 47 -5.066 2.350 -0.722 1.00 0.00 C ATOM 478 CG PHE A 47 -3.698 1.746 -0.620 1.00 0.00 C ATOM 479 CD1 PHE A 47 -3.448 0.482 -1.132 1.00 0.00 C ATOM 480 CD2 PHE A 47 -2.667 2.430 -0.002 1.00 0.00 C ATOM 481 CE1 PHE A 47 -2.195 -0.085 -1.031 1.00 0.00 C ATOM 482 CE2 PHE A 47 -1.411 1.866 0.105 1.00 0.00 C ATOM 483 CZ PHE A 47 -1.174 0.607 -0.411 1.00 0.00 C ATOM 0 H PHE A 47 -4.802 4.602 -2.371 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.385 1.724 -2.729 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -5.088 3.276 -0.148 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -5.787 1.673 -0.263 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -4.244 -0.065 -1.616 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -2.846 3.416 0.401 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -2.013 -1.069 -1.436 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -0.615 2.409 0.592 1.00 0.00 H new ATOM 0 HZ PHE A 47 -0.192 0.165 -0.330 1.00 0.00 H new ATOM 493 N TYR A 48 -7.819 2.225 -2.688 1.00 0.00 N ATOM 494 CA TYR A 48 -9.223 2.557 -2.855 1.00 0.00 C ATOM 495 C TYR A 48 -10.087 1.328 -2.636 1.00 0.00 C ATOM 496 O TYR A 48 -9.632 0.200 -2.819 1.00 0.00 O ATOM 497 CB TYR A 48 -9.470 3.128 -4.260 1.00 0.00 C ATOM 498 CG TYR A 48 -9.063 2.195 -5.383 1.00 0.00 C ATOM 499 CD1 TYR A 48 -7.764 2.191 -5.871 1.00 0.00 C ATOM 500 CD2 TYR A 48 -9.978 1.315 -5.950 1.00 0.00 C ATOM 501 CE1 TYR A 48 -7.389 1.340 -6.890 1.00 0.00 C ATOM 502 CE2 TYR A 48 -9.609 0.460 -6.970 1.00 0.00 C ATOM 503 CZ TYR A 48 -8.313 0.476 -7.436 1.00 0.00 C ATOM 504 OH TYR A 48 -7.935 -0.378 -8.449 1.00 0.00 O ATOM 0 H TYR A 48 -7.571 1.283 -2.992 1.00 0.00 H new ATOM 0 HA TYR A 48 -9.491 3.311 -2.114 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -10.529 3.365 -4.364 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -8.922 4.065 -4.362 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -7.035 2.865 -5.446 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -10.995 1.300 -5.587 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -6.374 1.351 -7.259 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -10.332 -0.217 -7.400 1.00 0.00 H new ATOM 0 HH TYR A 48 -8.703 -0.922 -8.722 1.00 0.00 H new ATOM 514 N GLU A 49 -11.323 1.553 -2.229 1.00 0.00 N ATOM 515 CA GLU A 49 -12.285 0.474 -2.095 1.00 0.00 C ATOM 516 C GLU A 49 -13.195 0.462 -3.313 1.00 0.00 C ATOM 517 O GLU A 49 -13.631 1.517 -3.776 1.00 0.00 O ATOM 518 CB GLU A 49 -13.118 0.637 -0.821 1.00 0.00 C ATOM 519 CG GLU A 49 -13.987 1.887 -0.815 1.00 0.00 C ATOM 520 CD GLU A 49 -14.917 1.938 0.375 1.00 0.00 C ATOM 521 OE1 GLU A 49 -15.704 0.985 0.555 1.00 0.00 O ATOM 522 OE2 GLU A 49 -14.880 2.937 1.121 1.00 0.00 O ATOM 0 H GLU A 49 -11.685 2.475 -1.985 1.00 0.00 H new ATOM 0 HA GLU A 49 -11.746 -0.471 -2.026 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.755 -0.239 -0.700 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -12.449 0.666 0.039 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -13.348 2.770 -0.811 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -14.574 1.922 -1.733 1.00 0.00 H new ATOM 529 N GLU A 50 -13.467 -0.712 -3.848 1.00 0.00 N ATOM 530 CA GLU A 50 -14.359 -0.811 -4.985 1.00 0.00 C ATOM 531 C GLU A 50 -15.615 -1.585 -4.639 1.00 0.00 C ATOM 532 O GLU A 50 -15.580 -2.790 -4.381 1.00 0.00 O ATOM 533 CB GLU A 50 -13.657 -1.418 -6.202 1.00 0.00 C ATOM 534 CG GLU A 50 -12.797 -2.636 -5.919 1.00 0.00 C ATOM 535 CD GLU A 50 -12.180 -3.181 -7.189 1.00 0.00 C ATOM 536 OE1 GLU A 50 -11.596 -2.385 -7.960 1.00 0.00 O ATOM 537 OE2 GLU A 50 -12.289 -4.400 -7.437 1.00 0.00 O ATOM 0 H GLU A 50 -13.088 -1.600 -3.519 1.00 0.00 H new ATOM 0 HA GLU A 50 -14.656 0.204 -5.249 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -14.414 -1.692 -6.937 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -13.031 -0.651 -6.659 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -12.009 -2.371 -5.214 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -13.402 -3.409 -5.445 1.00 0.00 H new ATOM 544 N LYS A 51 -16.722 -0.865 -4.599 1.00 0.00 N ATOM 545 CA LYS A 51 -18.023 -1.462 -4.377 1.00 0.00 C ATOM 546 C LYS A 51 -18.918 -1.160 -5.575 1.00 0.00 C ATOM 547 O LYS A 51 -19.357 -0.023 -5.742 1.00 0.00 O ATOM 548 CB LYS A 51 -18.660 -0.903 -3.098 1.00 0.00 C ATOM 549 CG LYS A 51 -17.780 -1.002 -1.858 1.00 0.00 C ATOM 550 CD LYS A 51 -17.516 -2.442 -1.452 1.00 0.00 C ATOM 551 CE LYS A 51 -16.719 -2.505 -0.159 1.00 0.00 C ATOM 552 NZ LYS A 51 -16.460 -3.903 0.275 1.00 0.00 N ATOM 0 H LYS A 51 -16.743 0.148 -4.719 1.00 0.00 H new ATOM 0 HA LYS A 51 -17.908 -2.540 -4.261 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -18.917 0.143 -3.263 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -19.593 -1.435 -2.909 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -16.831 -0.500 -2.048 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -18.259 -0.476 -1.032 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -18.463 -2.968 -1.326 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -16.970 -2.953 -2.245 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -15.770 -1.987 -0.294 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -17.261 -1.978 0.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -15.914 -3.896 1.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -17.365 -4.392 0.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -15.920 -4.401 -0.461 1.00 0.00 H new ATOM 566 N PRO A 52 -19.162 -2.162 -6.439 1.00 0.00 N ATOM 567 CA PRO A 52 -19.979 -2.003 -7.649 1.00 0.00 C ATOM 568 C PRO A 52 -21.258 -1.215 -7.395 1.00 0.00 C ATOM 569 O PRO A 52 -22.073 -1.587 -6.550 1.00 0.00 O ATOM 570 CB PRO A 52 -20.303 -3.441 -8.036 1.00 0.00 C ATOM 571 CG PRO A 52 -19.128 -4.220 -7.561 1.00 0.00 C ATOM 572 CD PRO A 52 -18.655 -3.539 -6.304 1.00 0.00 C ATOM 0 HA PRO A 52 -19.458 -1.441 -8.424 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -21.224 -3.782 -7.564 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -20.439 -3.543 -9.113 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -19.402 -5.256 -7.363 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -18.341 -4.237 -8.315 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -19.050 -4.025 -5.412 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -17.568 -3.559 -6.223 1.00 0.00 H new ATOM 580 N GLY A 53 -21.414 -0.116 -8.115 1.00 0.00 N ATOM 581 CA GLY A 53 -22.550 0.756 -7.910 1.00 0.00 C ATOM 582 C GLY A 53 -22.121 2.084 -7.333 1.00 0.00 C ATOM 583 O GLY A 53 -22.810 3.094 -7.479 1.00 0.00 O ATOM 0 H GLY A 53 -20.769 0.189 -8.843 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -23.064 0.917 -8.858 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -23.263 0.278 -7.238 1.00 0.00 H new ATOM 587 N GLN A 54 -20.977 2.070 -6.669 1.00 0.00 N ATOM 588 CA GLN A 54 -20.389 3.269 -6.098 1.00 0.00 C ATOM 589 C GLN A 54 -18.997 3.491 -6.673 1.00 0.00 C ATOM 590 O GLN A 54 -18.319 2.534 -7.056 1.00 0.00 O ATOM 591 CB GLN A 54 -20.294 3.120 -4.582 1.00 0.00 C ATOM 592 CG GLN A 54 -21.630 2.841 -3.924 1.00 0.00 C ATOM 593 CD GLN A 54 -21.513 2.670 -2.425 1.00 0.00 C ATOM 594 OE1 GLN A 54 -21.580 3.641 -1.670 1.00 0.00 O ATOM 595 NE2 GLN A 54 -21.356 1.431 -1.983 1.00 0.00 N ATOM 0 H GLN A 54 -20.429 1.224 -6.511 1.00 0.00 H new ATOM 0 HA GLN A 54 -21.018 4.125 -6.343 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -19.604 2.310 -4.346 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -19.872 4.032 -4.160 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -22.316 3.660 -4.141 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -22.063 1.939 -4.357 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -21.306 0.656 -2.644 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -21.286 1.252 -0.981 1.00 0.00 H new ATOM 604 N PRO A 55 -18.551 4.752 -6.748 1.00 0.00 N ATOM 605 CA PRO A 55 -17.203 5.074 -7.198 1.00 0.00 C ATOM 606 C PRO A 55 -16.175 4.682 -6.159 1.00 0.00 C ATOM 607 O PRO A 55 -16.437 4.708 -4.956 1.00 0.00 O ATOM 608 CB PRO A 55 -17.230 6.587 -7.379 1.00 0.00 C ATOM 609 CG PRO A 55 -18.284 7.059 -6.438 1.00 0.00 C ATOM 610 CD PRO A 55 -19.315 5.963 -6.386 1.00 0.00 C ATOM 0 HA PRO A 55 -16.929 4.541 -8.109 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -16.262 7.032 -7.146 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -17.466 6.859 -8.408 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -17.867 7.250 -5.449 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -18.725 7.994 -6.784 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -19.758 5.876 -5.394 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -20.131 6.146 -7.085 1.00 0.00 H new ATOM 618 N LYS A 56 -15.007 4.332 -6.638 1.00 0.00 N ATOM 619 CA LYS A 56 -13.969 3.786 -5.794 1.00 0.00 C ATOM 620 C LYS A 56 -13.292 4.882 -4.995 1.00 0.00 C ATOM 621 O LYS A 56 -12.710 5.815 -5.549 1.00 0.00 O ATOM 622 CB LYS A 56 -13.007 2.998 -6.667 1.00 0.00 C ATOM 623 CG LYS A 56 -13.723 1.833 -7.324 1.00 0.00 C ATOM 624 CD LYS A 56 -13.040 1.340 -8.581 1.00 0.00 C ATOM 625 CE LYS A 56 -13.786 0.139 -9.144 1.00 0.00 C ATOM 626 NZ LYS A 56 -12.934 -0.710 -10.015 1.00 0.00 N ATOM 0 H LYS A 56 -14.748 4.417 -7.621 1.00 0.00 H new ATOM 0 HA LYS A 56 -14.392 3.105 -5.055 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -12.582 3.649 -7.431 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -12.177 2.630 -6.064 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -13.794 1.011 -6.612 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -14.742 2.133 -7.567 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -13.007 2.138 -9.323 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -12.008 1.066 -8.360 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -14.170 -0.463 -8.321 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -14.648 0.487 -9.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -13.535 -1.244 -10.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -12.279 -0.108 -10.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -12.390 -1.374 -9.428 1.00 0.00 H new ATOM 640 N ARG A 57 -13.393 4.757 -3.683 1.00 0.00 N ATOM 641 CA ARG A 57 -13.022 5.827 -2.775 1.00 0.00 C ATOM 642 C ARG A 57 -11.592 5.653 -2.313 1.00 0.00 C ATOM 643 O ARG A 57 -11.189 4.549 -1.949 1.00 0.00 O ATOM 644 CB ARG A 57 -13.953 5.822 -1.560 1.00 0.00 C ATOM 645 CG ARG A 57 -13.939 7.119 -0.768 1.00 0.00 C ATOM 646 CD ARG A 57 -14.740 8.203 -1.470 1.00 0.00 C ATOM 647 NE ARG A 57 -16.164 7.869 -1.536 1.00 0.00 N ATOM 648 CZ ARG A 57 -17.031 8.424 -2.383 1.00 0.00 C ATOM 649 NH1 ARG A 57 -16.621 9.322 -3.277 1.00 0.00 N ATOM 650 NH2 ARG A 57 -18.309 8.074 -2.340 1.00 0.00 N ATOM 0 H ARG A 57 -13.733 3.915 -3.219 1.00 0.00 H new ATOM 0 HA ARG A 57 -13.112 6.777 -3.301 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -14.971 5.624 -1.895 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -13.669 5.002 -0.900 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -14.351 6.945 0.226 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -12.911 7.454 -0.632 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -14.612 9.149 -0.943 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -14.353 8.346 -2.479 1.00 0.00 H new ATOM 0 HE ARG A 57 -16.517 7.163 -0.890 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -15.638 9.590 -3.317 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -17.290 9.742 -3.922 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -18.626 7.382 -1.661 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -18.975 8.496 -2.986 1.00 0.00 H new ATOM 664 N LEU A 58 -10.827 6.735 -2.342 1.00 0.00 N ATOM 665 CA LEU A 58 -9.475 6.722 -1.812 1.00 0.00 C ATOM 666 C LEU A 58 -9.496 6.421 -0.322 1.00 0.00 C ATOM 667 O LEU A 58 -9.910 7.251 0.492 1.00 0.00 O ATOM 668 CB LEU A 58 -8.775 8.056 -2.083 1.00 0.00 C ATOM 669 CG LEU A 58 -7.917 8.094 -3.348 1.00 0.00 C ATOM 670 CD1 LEU A 58 -7.583 9.530 -3.721 1.00 0.00 C ATOM 671 CD2 LEU A 58 -6.634 7.303 -3.135 1.00 0.00 C ATOM 0 H LEU A 58 -11.121 7.632 -2.727 1.00 0.00 H new ATOM 0 HA LEU A 58 -8.913 5.936 -2.317 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -9.531 8.838 -2.152 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -8.144 8.298 -1.228 1.00 0.00 H new ATOM 0 HG LEU A 58 -8.483 7.643 -4.163 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.972 9.539 -4.624 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -8.505 10.083 -3.902 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -7.033 9.999 -2.906 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.031 7.337 -4.042 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -6.071 7.738 -2.309 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.880 6.267 -2.901 1.00 0.00 H new ATOM 683 N VAL A 59 -9.065 5.223 0.026 1.00 0.00 N ATOM 684 CA VAL A 59 -9.065 4.794 1.410 1.00 0.00 C ATOM 685 C VAL A 59 -7.734 5.124 2.064 1.00 0.00 C ATOM 686 O VAL A 59 -7.652 5.236 3.285 1.00 0.00 O ATOM 687 CB VAL A 59 -9.366 3.284 1.553 1.00 0.00 C ATOM 688 CG1 VAL A 59 -10.700 2.943 0.909 1.00 0.00 C ATOM 689 CG2 VAL A 59 -8.252 2.442 0.953 1.00 0.00 C ATOM 0 H VAL A 59 -8.710 4.530 -0.632 1.00 0.00 H new ATOM 0 HA VAL A 59 -9.863 5.337 1.916 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.424 3.053 2.617 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -10.895 1.876 1.019 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -11.494 3.509 1.395 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -10.669 3.198 -0.150 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -8.492 1.385 1.069 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -8.149 2.677 -0.106 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -7.315 2.659 1.466 1.00 0.00 H new ATOM 699 N ALA A 60 -6.694 5.277 1.239 1.00 0.00 N ATOM 700 CA ALA A 60 -5.384 5.678 1.721 1.00 0.00 C ATOM 701 C ALA A 60 -4.456 6.047 0.580 1.00 0.00 C ATOM 702 O ALA A 60 -4.399 5.370 -0.445 1.00 0.00 O ATOM 703 CB ALA A 60 -4.755 4.572 2.547 1.00 0.00 C ATOM 0 H ALA A 60 -6.742 5.127 0.231 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.528 6.560 2.346 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.774 4.893 2.898 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.392 4.350 3.403 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.646 3.677 1.934 1.00 0.00 H new ATOM 709 N ILE A 61 -3.753 7.141 0.754 1.00 0.00 N ATOM 710 CA ILE A 61 -2.637 7.469 -0.109 1.00 0.00 C ATOM 711 C ILE A 61 -1.370 7.195 0.678 1.00 0.00 C ATOM 712 O ILE A 61 -1.078 7.888 1.653 1.00 0.00 O ATOM 713 CB ILE A 61 -2.637 8.943 -0.580 1.00 0.00 C ATOM 714 CG1 ILE A 61 -3.961 9.314 -1.264 1.00 0.00 C ATOM 715 CG2 ILE A 61 -1.471 9.176 -1.527 1.00 0.00 C ATOM 716 CD1 ILE A 61 -5.048 9.741 -0.304 1.00 0.00 C ATOM 0 H ILE A 61 -3.934 7.824 1.489 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.709 6.862 -1.011 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.528 9.582 0.296 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.778 10.121 -1.973 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -4.314 8.458 -1.839 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.473 10.215 -1.858 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.535 8.961 -1.012 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.568 8.520 -2.392 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -5.951 9.987 -0.863 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.261 8.928 0.390 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.717 10.617 0.254 1.00 0.00 H new ATOM 728 N CYS A 62 -0.625 6.183 0.281 1.00 0.00 N ATOM 729 CA CYS A 62 0.462 5.707 1.118 1.00 0.00 C ATOM 730 C CYS A 62 1.739 5.511 0.328 1.00 0.00 C ATOM 731 O CYS A 62 1.711 5.148 -0.844 1.00 0.00 O ATOM 732 CB CYS A 62 0.069 4.399 1.808 1.00 0.00 C ATOM 733 SG CYS A 62 1.147 3.954 3.199 1.00 0.00 S ATOM 0 H CYS A 62 -0.747 5.681 -0.599 1.00 0.00 H new ATOM 0 HA CYS A 62 0.651 6.471 1.872 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -0.957 4.482 2.167 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.086 3.593 1.075 1.00 0.00 H new ATOM 738 N LYS A 63 2.856 5.761 0.986 1.00 0.00 N ATOM 739 CA LYS A 63 4.165 5.566 0.399 1.00 0.00 C ATOM 740 C LYS A 63 5.141 5.096 1.457 1.00 0.00 C ATOM 741 O LYS A 63 4.868 5.184 2.651 1.00 0.00 O ATOM 742 CB LYS A 63 4.687 6.842 -0.251 1.00 0.00 C ATOM 743 CG LYS A 63 4.667 8.059 0.649 1.00 0.00 C ATOM 744 CD LYS A 63 5.469 9.187 0.036 1.00 0.00 C ATOM 745 CE LYS A 63 5.018 10.537 0.558 1.00 0.00 C ATOM 746 NZ LYS A 63 5.824 11.646 -0.010 1.00 0.00 N ATOM 0 H LYS A 63 2.879 6.106 1.946 1.00 0.00 H new ATOM 0 HA LYS A 63 4.070 4.808 -0.378 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.710 6.671 -0.587 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.091 7.053 -1.139 1.00 0.00 H new ATOM 0 HG2 LYS A 63 3.639 8.382 0.810 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.077 7.803 1.626 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.527 9.045 0.258 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.364 9.162 -1.049 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.967 10.689 0.312 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.096 10.551 1.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 5.485 12.552 0.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.824 11.515 0.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.729 11.649 -1.046 1.00 0.00 H new ATOM 760 N ASN A 64 6.269 4.591 1.012 1.00 0.00 N ATOM 761 CA ASN A 64 7.265 4.050 1.921 1.00 0.00 C ATOM 762 C ASN A 64 8.049 5.186 2.562 1.00 0.00 C ATOM 763 O ASN A 64 8.424 6.148 1.896 1.00 0.00 O ATOM 764 CB ASN A 64 8.200 3.096 1.178 1.00 0.00 C ATOM 765 CG ASN A 64 9.307 2.563 2.061 1.00 0.00 C ATOM 766 OD1 ASN A 64 9.142 1.565 2.756 1.00 0.00 O ATOM 767 ND2 ASN A 64 10.447 3.228 2.033 1.00 0.00 N ATOM 0 H ASN A 64 6.524 4.542 0.026 1.00 0.00 H new ATOM 0 HA ASN A 64 6.762 3.487 2.707 1.00 0.00 H new ATOM 0 HB2 ASN A 64 7.622 2.261 0.782 1.00 0.00 H new ATOM 0 HB3 ASN A 64 8.638 3.613 0.324 1.00 0.00 H new ATOM 0 HD21 ASN A 64 11.233 2.917 2.604 1.00 0.00 H new ATOM 0 HD22 ASN A 64 10.542 4.053 1.441 1.00 0.00 H new ATOM 774 N ALA A 65 8.265 5.042 3.872 1.00 0.00 N ATOM 775 CA ALA A 65 8.838 6.082 4.730 1.00 0.00 C ATOM 776 C ALA A 65 10.101 6.710 4.160 1.00 0.00 C ATOM 777 O ALA A 65 10.335 7.907 4.324 1.00 0.00 O ATOM 778 CB ALA A 65 9.140 5.496 6.093 1.00 0.00 C ATOM 0 H ALA A 65 8.042 4.183 4.375 1.00 0.00 H new ATOM 0 HA ALA A 65 8.096 6.877 4.800 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.567 6.267 6.734 1.00 0.00 H new ATOM 0 HB2 ALA A 65 8.219 5.121 6.540 1.00 0.00 H new ATOM 0 HB3 ALA A 65 9.852 4.677 5.987 1.00 0.00 H new ATOM 784 N SER A 66 10.924 5.892 3.530 1.00 0.00 N ATOM 785 CA SER A 66 12.137 6.366 2.897 1.00 0.00 C ATOM 786 C SER A 66 11.964 6.384 1.384 1.00 0.00 C ATOM 787 O SER A 66 11.337 5.491 0.813 1.00 0.00 O ATOM 788 CB SER A 66 13.317 5.468 3.284 1.00 0.00 C ATOM 789 OG SER A 66 14.469 5.760 2.510 1.00 0.00 O ATOM 0 H SER A 66 10.771 4.887 3.444 1.00 0.00 H new ATOM 0 HA SER A 66 12.341 7.381 3.239 1.00 0.00 H new ATOM 0 HB2 SER A 66 13.545 5.601 4.342 1.00 0.00 H new ATOM 0 HB3 SER A 66 13.040 4.423 3.146 1.00 0.00 H new ATOM 0 HG SER A 66 15.243 5.290 2.885 1.00 0.00 H new ATOM 795 N PRO A 67 12.499 7.417 0.721 1.00 0.00 N ATOM 796 CA PRO A 67 12.507 7.509 -0.736 1.00 0.00 C ATOM 797 C PRO A 67 13.588 6.629 -1.357 1.00 0.00 C ATOM 798 O PRO A 67 13.805 6.655 -2.570 1.00 0.00 O ATOM 799 CB PRO A 67 12.809 8.992 -1.016 1.00 0.00 C ATOM 800 CG PRO A 67 12.845 9.667 0.318 1.00 0.00 C ATOM 801 CD PRO A 67 13.120 8.595 1.329 1.00 0.00 C ATOM 0 HA PRO A 67 11.564 7.169 -1.165 1.00 0.00 H new ATOM 0 HB2 PRO A 67 13.761 9.105 -1.536 1.00 0.00 H new ATOM 0 HB3 PRO A 67 12.043 9.432 -1.655 1.00 0.00 H new ATOM 0 HG2 PRO A 67 13.620 10.433 0.344 1.00 0.00 H new ATOM 0 HG3 PRO A 67 11.898 10.164 0.527 1.00 0.00 H new ATOM 0 HD2 PRO A 67 14.189 8.453 1.489 1.00 0.00 H new ATOM 0 HD3 PRO A 67 12.681 8.830 2.299 1.00 0.00 H new ATOM 809 N VAL A 68 14.277 5.865 -0.515 1.00 0.00 N ATOM 810 CA VAL A 68 15.331 4.980 -0.979 1.00 0.00 C ATOM 811 C VAL A 68 15.028 3.535 -0.597 1.00 0.00 C ATOM 812 O VAL A 68 14.579 2.743 -1.422 1.00 0.00 O ATOM 813 CB VAL A 68 16.704 5.361 -0.395 1.00 0.00 C ATOM 814 CG1 VAL A 68 17.804 4.661 -1.169 1.00 0.00 C ATOM 815 CG2 VAL A 68 16.907 6.870 -0.407 1.00 0.00 C ATOM 0 H VAL A 68 14.121 5.844 0.493 1.00 0.00 H new ATOM 0 HA VAL A 68 15.368 5.084 -2.063 1.00 0.00 H new ATOM 0 HB VAL A 68 16.742 5.035 0.644 1.00 0.00 H new ATOM 0 HG11 VAL A 68 18.773 4.934 -0.752 1.00 0.00 H new ATOM 0 HG12 VAL A 68 17.669 3.582 -1.097 1.00 0.00 H new ATOM 0 HG13 VAL A 68 17.762 4.963 -2.215 1.00 0.00 H new ATOM 0 HG21 VAL A 68 17.885 7.109 0.011 1.00 0.00 H new ATOM 0 HG22 VAL A 68 16.851 7.236 -1.432 1.00 0.00 H new ATOM 0 HG23 VAL A 68 16.130 7.346 0.191 1.00 0.00 H new ATOM 825 N HIS A 69 15.254 3.203 0.665 1.00 0.00 N ATOM 826 CA HIS A 69 15.080 1.834 1.133 1.00 0.00 C ATOM 827 C HIS A 69 13.687 1.659 1.709 1.00 0.00 C ATOM 828 O HIS A 69 13.018 2.634 2.034 1.00 0.00 O ATOM 829 CB HIS A 69 16.122 1.486 2.198 1.00 0.00 C ATOM 830 CG HIS A 69 17.539 1.729 1.769 1.00 0.00 C ATOM 831 ND1 HIS A 69 18.241 2.862 2.111 1.00 0.00 N ATOM 832 CD2 HIS A 69 18.388 0.974 1.031 1.00 0.00 C ATOM 833 CE1 HIS A 69 19.456 2.795 1.607 1.00 0.00 C ATOM 834 NE2 HIS A 69 19.573 1.661 0.947 1.00 0.00 N ATOM 0 H HIS A 69 15.558 3.861 1.383 1.00 0.00 H new ATOM 0 HA HIS A 69 15.212 1.163 0.284 1.00 0.00 H new ATOM 0 HB2 HIS A 69 15.919 2.072 3.095 1.00 0.00 H new ATOM 0 HB3 HIS A 69 16.011 0.437 2.471 1.00 0.00 H new ATOM 0 HD2 HIS A 69 18.173 0.011 0.591 1.00 0.00 H new ATOM 0 HE1 HIS A 69 20.227 3.544 1.716 1.00 0.00 H new ATOM 0 HE2 HIS A 69 20.408 1.345 0.454 1.00 0.00 H new ATOM 843 N CYS A 70 13.264 0.418 1.867 1.00 0.00 N ATOM 844 CA CYS A 70 11.922 0.134 2.341 1.00 0.00 C ATOM 845 C CYS A 70 11.920 -0.125 3.842 1.00 0.00 C ATOM 846 O CYS A 70 12.660 -0.976 4.341 1.00 0.00 O ATOM 847 CB CYS A 70 11.340 -1.062 1.585 1.00 0.00 C ATOM 848 SG CYS A 70 12.458 -2.481 1.477 1.00 0.00 S ATOM 0 H CYS A 70 13.830 -0.409 1.674 1.00 0.00 H new ATOM 0 HA CYS A 70 11.296 1.006 2.151 1.00 0.00 H new ATOM 0 HB2 CYS A 70 10.419 -1.375 2.076 1.00 0.00 H new ATOM 0 HB3 CYS A 70 11.073 -0.746 0.577 1.00 0.00 H new ATOM 0 HG CYS A 70 13.120 -2.598 2.590 1.00 0.00 H new ATOM 854 N ASN A 71 11.089 0.630 4.552 1.00 0.00 N ATOM 855 CA ASN A 71 10.998 0.524 6.004 1.00 0.00 C ATOM 856 C ASN A 71 9.563 0.215 6.408 1.00 0.00 C ATOM 857 O ASN A 71 9.176 -0.942 6.560 1.00 0.00 O ATOM 858 CB ASN A 71 11.432 1.828 6.697 1.00 0.00 C ATOM 859 CG ASN A 71 12.806 2.326 6.292 1.00 0.00 C ATOM 860 OD1 ASN A 71 13.702 1.552 5.956 1.00 0.00 O ATOM 861 ND2 ASN A 71 12.978 3.641 6.335 1.00 0.00 N ATOM 0 H ASN A 71 10.465 1.326 4.143 1.00 0.00 H new ATOM 0 HA ASN A 71 11.667 -0.278 6.317 1.00 0.00 H new ATOM 0 HB2 ASN A 71 10.698 2.604 6.477 1.00 0.00 H new ATOM 0 HB3 ASN A 71 11.418 1.674 7.776 1.00 0.00 H new ATOM 0 HD21 ASN A 71 13.880 4.046 6.084 1.00 0.00 H new ATOM 0 HD22 ASN A 71 12.208 4.247 6.619 1.00 0.00 H new ATOM 868 N TYR A 72 8.781 1.273 6.571 1.00 0.00 N ATOM 869 CA TYR A 72 7.371 1.163 6.899 1.00 0.00 C ATOM 870 C TYR A 72 6.569 2.013 5.928 1.00 0.00 C ATOM 871 O TYR A 72 7.143 2.704 5.081 1.00 0.00 O ATOM 872 CB TYR A 72 7.113 1.645 8.329 1.00 0.00 C ATOM 873 CG TYR A 72 7.891 0.897 9.387 1.00 0.00 C ATOM 874 CD1 TYR A 72 7.818 -0.484 9.479 1.00 0.00 C ATOM 875 CD2 TYR A 72 8.684 1.573 10.303 1.00 0.00 C ATOM 876 CE1 TYR A 72 8.515 -1.171 10.455 1.00 0.00 C ATOM 877 CE2 TYR A 72 9.386 0.895 11.278 1.00 0.00 C ATOM 878 CZ TYR A 72 9.298 -0.475 11.350 1.00 0.00 C ATOM 879 OH TYR A 72 9.993 -1.154 12.327 1.00 0.00 O ATOM 0 H TYR A 72 9.110 2.234 6.479 1.00 0.00 H new ATOM 0 HA TYR A 72 7.069 0.118 6.823 1.00 0.00 H new ATOM 0 HB2 TYR A 72 7.361 2.704 8.393 1.00 0.00 H new ATOM 0 HB3 TYR A 72 6.048 1.553 8.544 1.00 0.00 H new ATOM 0 HD1 TYR A 72 7.207 -1.032 8.777 1.00 0.00 H new ATOM 0 HD2 TYR A 72 8.753 2.650 10.252 1.00 0.00 H new ATOM 0 HE1 TYR A 72 8.446 -2.247 10.516 1.00 0.00 H new ATOM 0 HE2 TYR A 72 10.001 1.437 11.981 1.00 0.00 H new ATOM 0 HH TYR A 72 10.497 -0.515 12.874 1.00 0.00 H new ATOM 889 N LEU A 73 5.255 1.980 6.064 1.00 0.00 N ATOM 890 CA LEU A 73 4.385 2.743 5.186 1.00 0.00 C ATOM 891 C LEU A 73 3.861 3.990 5.881 1.00 0.00 C ATOM 892 O LEU A 73 3.283 3.916 6.967 1.00 0.00 O ATOM 893 CB LEU A 73 3.208 1.890 4.708 1.00 0.00 C ATOM 894 CG LEU A 73 3.543 0.822 3.668 1.00 0.00 C ATOM 895 CD1 LEU A 73 2.266 0.194 3.122 1.00 0.00 C ATOM 896 CD2 LEU A 73 4.378 1.416 2.541 1.00 0.00 C ATOM 0 H LEU A 73 4.767 1.433 6.774 1.00 0.00 H new ATOM 0 HA LEU A 73 4.978 3.046 4.323 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.763 1.400 5.574 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.449 2.552 4.291 1.00 0.00 H new ATOM 0 HG LEU A 73 4.130 0.040 4.150 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.521 -0.565 2.382 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.710 -0.267 3.938 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.653 0.964 2.655 1.00 0.00 H new ATOM 0 HD21 LEU A 73 4.607 0.640 1.810 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.819 2.217 2.057 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.307 1.816 2.948 1.00 0.00 H new ATOM 908 N LYS A 74 4.085 5.130 5.251 1.00 0.00 N ATOM 909 CA LYS A 74 3.570 6.401 5.734 1.00 0.00 C ATOM 910 C LYS A 74 2.425 6.846 4.836 1.00 0.00 C ATOM 911 O LYS A 74 2.641 7.260 3.695 1.00 0.00 O ATOM 912 CB LYS A 74 4.676 7.465 5.758 1.00 0.00 C ATOM 913 CG LYS A 74 5.281 7.714 7.132 1.00 0.00 C ATOM 914 CD LYS A 74 5.929 6.469 7.712 1.00 0.00 C ATOM 915 CE LYS A 74 6.472 6.728 9.107 1.00 0.00 C ATOM 916 NZ LYS A 74 7.014 5.494 9.734 1.00 0.00 N ATOM 0 H LYS A 74 4.628 5.202 4.391 1.00 0.00 H new ATOM 0 HA LYS A 74 3.207 6.276 6.754 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.469 7.162 5.075 1.00 0.00 H new ATOM 0 HB3 LYS A 74 4.269 8.402 5.378 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.025 8.508 7.060 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.504 8.066 7.810 1.00 0.00 H new ATOM 0 HD2 LYS A 74 5.200 5.660 7.748 1.00 0.00 H new ATOM 0 HD3 LYS A 74 6.738 6.140 7.060 1.00 0.00 H new ATOM 0 HE2 LYS A 74 7.257 7.483 9.056 1.00 0.00 H new ATOM 0 HE3 LYS A 74 5.679 7.135 9.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 7.374 5.717 10.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 6.260 4.782 9.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 7.788 5.119 9.150 1.00 0.00 H new ATOM 930 N CYS A 75 1.205 6.738 5.343 1.00 0.00 N ATOM 931 CA CYS A 75 0.024 7.011 4.541 1.00 0.00 C ATOM 932 C CYS A 75 -0.737 8.216 5.081 1.00 0.00 C ATOM 933 O CYS A 75 -0.698 8.501 6.281 1.00 0.00 O ATOM 934 CB CYS A 75 -0.896 5.786 4.529 1.00 0.00 C ATOM 935 SG CYS A 75 -0.039 4.201 4.827 1.00 0.00 S ATOM 0 H CYS A 75 1.009 6.463 6.306 1.00 0.00 H new ATOM 0 HA CYS A 75 0.349 7.234 3.525 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -1.667 5.917 5.288 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -1.403 5.736 3.565 1.00 0.00 H new ATOM 940 N THR A 76 -1.412 8.922 4.190 1.00 0.00 N ATOM 941 CA THR A 76 -2.296 9.999 4.581 1.00 0.00 C ATOM 942 C THR A 76 -3.708 9.674 4.107 1.00 0.00 C ATOM 943 O THR A 76 -3.878 8.973 3.102 1.00 0.00 O ATOM 944 CB THR A 76 -1.831 11.361 4.011 1.00 0.00 C ATOM 945 OG1 THR A 76 -2.571 12.432 4.612 1.00 0.00 O ATOM 946 CG2 THR A 76 -2.005 11.419 2.501 1.00 0.00 C ATOM 0 H THR A 76 -1.362 8.764 3.184 1.00 0.00 H new ATOM 0 HA THR A 76 -2.279 10.088 5.667 1.00 0.00 H new ATOM 0 HB THR A 76 -0.772 11.469 4.245 1.00 0.00 H new ATOM 0 HG1 THR A 76 -2.266 13.287 4.244 1.00 0.00 H new ATOM 0 HG21 THR A 76 -1.669 12.388 2.133 1.00 0.00 H new ATOM 0 HG22 THR A 76 -1.414 10.630 2.036 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.057 11.280 2.250 1.00 0.00 H new ATOM 954 N ASN A 77 -4.703 10.169 4.839 1.00 0.00 N ATOM 955 CA ASN A 77 -6.107 9.841 4.583 1.00 0.00 C ATOM 956 C ASN A 77 -6.368 8.356 4.826 1.00 0.00 C ATOM 957 O ASN A 77 -5.997 7.505 4.019 1.00 0.00 O ATOM 958 CB ASN A 77 -6.524 10.231 3.155 1.00 0.00 C ATOM 959 CG ASN A 77 -7.927 9.760 2.801 1.00 0.00 C ATOM 960 OD1 ASN A 77 -8.914 10.447 3.063 1.00 0.00 O ATOM 961 ND2 ASN A 77 -8.024 8.584 2.197 1.00 0.00 N ATOM 0 H ASN A 77 -4.562 10.806 5.623 1.00 0.00 H new ATOM 0 HA ASN A 77 -6.712 10.421 5.280 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -6.472 11.315 3.049 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -5.813 9.807 2.445 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -8.940 8.220 1.933 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -7.183 8.043 1.996 1.00 0.00 H new ATOM 968 N LEU A 78 -6.993 8.050 5.949 1.00 0.00 N ATOM 969 CA LEU A 78 -7.351 6.680 6.279 1.00 0.00 C ATOM 970 C LEU A 78 -8.864 6.564 6.393 1.00 0.00 C ATOM 971 O LEU A 78 -9.502 7.332 7.115 1.00 0.00 O ATOM 972 CB LEU A 78 -6.679 6.248 7.587 1.00 0.00 C ATOM 973 CG LEU A 78 -5.148 6.236 7.561 1.00 0.00 C ATOM 974 CD1 LEU A 78 -4.597 5.842 8.926 1.00 0.00 C ATOM 975 CD2 LEU A 78 -4.643 5.282 6.487 1.00 0.00 C ATOM 0 H LEU A 78 -7.265 8.736 6.653 1.00 0.00 H new ATOM 0 HA LEU A 78 -7.001 6.019 5.486 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.008 6.916 8.383 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.030 5.249 7.844 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.797 7.240 7.324 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.508 5.838 8.891 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -4.934 6.559 9.675 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -4.955 4.847 9.190 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.553 5.285 6.481 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -5.002 4.275 6.697 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -5.012 5.603 5.513 1.00 0.00 H new ATOM 987 N ALA A 79 -9.438 5.610 5.679 1.00 0.00 N ATOM 988 CA ALA A 79 -10.887 5.475 5.617 1.00 0.00 C ATOM 989 C ALA A 79 -11.411 4.537 6.699 1.00 0.00 C ATOM 990 O ALA A 79 -11.740 3.383 6.424 1.00 0.00 O ATOM 991 CB ALA A 79 -11.317 4.990 4.241 1.00 0.00 C ATOM 0 H ALA A 79 -8.925 4.917 5.134 1.00 0.00 H new ATOM 0 HA ALA A 79 -11.318 6.460 5.796 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -12.402 4.894 4.212 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -10.995 5.707 3.486 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.862 4.021 4.038 1.00 0.00 H new ATOM 997 N ALA A 80 -11.468 5.050 7.926 1.00 0.00 N ATOM 998 CA ALA A 80 -12.022 4.328 9.075 1.00 0.00 C ATOM 999 C ALA A 80 -11.304 3.000 9.333 1.00 0.00 C ATOM 1000 O ALA A 80 -10.337 2.947 10.096 1.00 0.00 O ATOM 1001 CB ALA A 80 -13.518 4.103 8.898 1.00 0.00 C ATOM 0 H ALA A 80 -11.129 5.984 8.155 1.00 0.00 H new ATOM 0 HA ALA A 80 -11.860 4.954 9.952 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -13.910 3.566 9.762 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -14.023 5.065 8.810 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -13.694 3.517 7.996 1.00 0.00 H new ATOM 1007 N GLY A 81 -11.775 1.939 8.691 1.00 0.00 N ATOM 1008 CA GLY A 81 -11.199 0.626 8.893 1.00 0.00 C ATOM 1009 C GLY A 81 -10.144 0.303 7.858 1.00 0.00 C ATOM 1010 O GLY A 81 -9.474 -0.727 7.943 1.00 0.00 O ATOM 0 H GLY A 81 -12.551 1.966 8.030 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -10.758 0.573 9.888 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -11.988 -0.126 8.853 1.00 0.00 H new ATOM 1014 N PHE A 82 -10.004 1.180 6.877 1.00 0.00 N ATOM 1015 CA PHE A 82 -9.007 1.009 5.834 1.00 0.00 C ATOM 1016 C PHE A 82 -7.727 1.758 6.181 1.00 0.00 C ATOM 1017 O PHE A 82 -7.723 2.986 6.295 1.00 0.00 O ATOM 1018 CB PHE A 82 -9.538 1.500 4.486 1.00 0.00 C ATOM 1019 CG PHE A 82 -10.690 0.703 3.949 1.00 0.00 C ATOM 1020 CD1 PHE A 82 -10.468 -0.419 3.166 1.00 0.00 C ATOM 1021 CD2 PHE A 82 -11.994 1.081 4.219 1.00 0.00 C ATOM 1022 CE1 PHE A 82 -11.529 -1.150 2.664 1.00 0.00 C ATOM 1023 CE2 PHE A 82 -13.058 0.355 3.719 1.00 0.00 C ATOM 1024 CZ PHE A 82 -12.826 -0.761 2.941 1.00 0.00 C ATOM 0 H PHE A 82 -10.572 2.022 6.782 1.00 0.00 H new ATOM 0 HA PHE A 82 -8.786 -0.056 5.760 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -9.847 2.540 4.588 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -8.726 1.478 3.759 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -9.456 -0.725 2.946 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -12.182 1.953 4.827 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -11.344 -2.024 2.056 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -14.071 0.661 3.937 1.00 0.00 H new ATOM 0 HZ PHE A 82 -13.657 -1.329 2.549 1.00 0.00 H new ATOM 1034 N SER A 83 -6.654 1.010 6.369 1.00 0.00 N ATOM 1035 CA SER A 83 -5.335 1.575 6.609 1.00 0.00 C ATOM 1036 C SER A 83 -4.302 0.676 5.947 1.00 0.00 C ATOM 1037 O SER A 83 -4.632 -0.418 5.518 1.00 0.00 O ATOM 1038 CB SER A 83 -5.068 1.671 8.110 1.00 0.00 C ATOM 1039 OG SER A 83 -6.116 2.357 8.777 1.00 0.00 O ATOM 0 H SER A 83 -6.672 -0.010 6.360 1.00 0.00 H new ATOM 0 HA SER A 83 -5.277 2.580 6.190 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.962 0.670 8.528 1.00 0.00 H new ATOM 0 HB3 SER A 83 -4.124 2.189 8.281 1.00 0.00 H new ATOM 0 HG SER A 83 -5.919 2.402 9.736 1.00 0.00 H new ATOM 1045 N ALA A 84 -3.067 1.117 5.845 1.00 0.00 N ATOM 1046 CA ALA A 84 -2.048 0.291 5.219 1.00 0.00 C ATOM 1047 C ALA A 84 -1.209 -0.400 6.280 1.00 0.00 C ATOM 1048 O ALA A 84 -1.097 0.084 7.408 1.00 0.00 O ATOM 1049 CB ALA A 84 -1.178 1.116 4.290 1.00 0.00 C ATOM 0 H ALA A 84 -2.744 2.025 6.179 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.542 -0.473 4.618 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -0.423 0.475 3.834 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.797 1.560 3.510 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -0.688 1.907 4.858 1.00 0.00 H new ATOM 1055 N GLY A 85 -0.623 -1.529 5.913 1.00 0.00 N ATOM 1056 CA GLY A 85 0.041 -2.366 6.892 1.00 0.00 C ATOM 1057 C GLY A 85 1.550 -2.392 6.745 1.00 0.00 C ATOM 1058 O GLY A 85 2.272 -2.038 7.670 1.00 0.00 O ATOM 0 H GLY A 85 -0.595 -1.881 4.956 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.212 -2.012 7.891 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.342 -3.383 6.807 1.00 0.00 H new ATOM 1062 N THR A 86 2.028 -2.816 5.583 1.00 0.00 N ATOM 1063 CA THR A 86 3.458 -2.997 5.365 1.00 0.00 C ATOM 1064 C THR A 86 3.712 -3.377 3.908 1.00 0.00 C ATOM 1065 O THR A 86 2.778 -3.442 3.109 1.00 0.00 O ATOM 1066 CB THR A 86 4.018 -4.099 6.305 1.00 0.00 C ATOM 1067 OG1 THR A 86 5.449 -4.168 6.225 1.00 0.00 O ATOM 1068 CG2 THR A 86 3.426 -5.462 5.965 1.00 0.00 C ATOM 0 H THR A 86 1.447 -3.041 4.776 1.00 0.00 H new ATOM 0 HA THR A 86 3.968 -2.060 5.589 1.00 0.00 H new ATOM 0 HB THR A 86 3.732 -3.831 7.322 1.00 0.00 H new ATOM 0 HG1 THR A 86 5.777 -4.868 6.827 1.00 0.00 H new ATOM 0 HG21 THR A 86 3.835 -6.215 6.639 1.00 0.00 H new ATOM 0 HG22 THR A 86 2.342 -5.426 6.077 1.00 0.00 H new ATOM 0 HG23 THR A 86 3.676 -5.721 4.936 1.00 0.00 H new ATOM 1076 N SER A 87 4.966 -3.610 3.560 1.00 0.00 N ATOM 1077 CA SER A 87 5.312 -4.076 2.227 1.00 0.00 C ATOM 1078 C SER A 87 6.163 -5.336 2.338 1.00 0.00 C ATOM 1079 O SER A 87 7.011 -5.439 3.224 1.00 0.00 O ATOM 1080 CB SER A 87 6.058 -2.977 1.466 1.00 0.00 C ATOM 1081 OG SER A 87 5.283 -1.789 1.410 1.00 0.00 O ATOM 0 H SER A 87 5.764 -3.484 4.183 1.00 0.00 H new ATOM 0 HA SER A 87 4.404 -4.314 1.673 1.00 0.00 H new ATOM 0 HB2 SER A 87 7.011 -2.773 1.954 1.00 0.00 H new ATOM 0 HB3 SER A 87 6.284 -3.317 0.455 1.00 0.00 H new ATOM 0 HG SER A 87 5.219 -1.483 0.481 1.00 0.00 H new ATOM 1087 N THR A 88 5.939 -6.292 1.447 1.00 0.00 N ATOM 1088 CA THR A 88 6.585 -7.595 1.552 1.00 0.00 C ATOM 1089 C THR A 88 6.972 -8.146 0.187 1.00 0.00 C ATOM 1090 O THR A 88 7.187 -7.393 -0.769 1.00 0.00 O ATOM 1091 CB THR A 88 5.647 -8.607 2.224 1.00 0.00 C ATOM 1092 OG1 THR A 88 4.381 -8.598 1.555 1.00 0.00 O ATOM 1093 CG2 THR A 88 5.449 -8.291 3.695 1.00 0.00 C ATOM 0 H THR A 88 5.317 -6.191 0.645 1.00 0.00 H new ATOM 0 HA THR A 88 7.485 -7.451 2.150 1.00 0.00 H new ATOM 0 HB THR A 88 6.103 -9.594 2.151 1.00 0.00 H new ATOM 0 HG1 THR A 88 3.976 -7.709 1.633 1.00 0.00 H new ATOM 0 HG21 THR A 88 4.779 -9.028 4.139 1.00 0.00 H new ATOM 0 HG22 THR A 88 6.411 -8.321 4.206 1.00 0.00 H new ATOM 0 HG23 THR A 88 5.014 -7.297 3.798 1.00 0.00 H new ATOM 1101 N ASP A 89 7.088 -9.476 0.140 1.00 0.00 N ATOM 1102 CA ASP A 89 7.201 -10.237 -1.100 1.00 0.00 C ATOM 1103 C ASP A 89 8.509 -9.956 -1.828 1.00 0.00 C ATOM 1104 O ASP A 89 9.485 -10.679 -1.661 1.00 0.00 O ATOM 1105 CB ASP A 89 6.000 -9.951 -2.006 1.00 0.00 C ATOM 1106 CG ASP A 89 5.975 -10.816 -3.244 1.00 0.00 C ATOM 1107 OD1 ASP A 89 5.586 -11.999 -3.144 1.00 0.00 O ATOM 1108 OD2 ASP A 89 6.328 -10.309 -4.322 1.00 0.00 O ATOM 0 H ASP A 89 7.106 -10.060 0.976 1.00 0.00 H new ATOM 0 HA ASP A 89 7.204 -11.295 -0.839 1.00 0.00 H new ATOM 0 HB2 ASP A 89 5.081 -10.108 -1.442 1.00 0.00 H new ATOM 0 HB3 ASP A 89 6.017 -8.902 -2.303 1.00 0.00 H new ATOM 1113 N VAL A 90 8.535 -8.884 -2.597 1.00 0.00 N ATOM 1114 CA VAL A 90 9.691 -8.557 -3.409 1.00 0.00 C ATOM 1115 C VAL A 90 10.857 -8.092 -2.540 1.00 0.00 C ATOM 1116 O VAL A 90 12.020 -8.338 -2.860 1.00 0.00 O ATOM 1117 CB VAL A 90 9.348 -7.487 -4.461 1.00 0.00 C ATOM 1118 CG1 VAL A 90 8.503 -8.090 -5.571 1.00 0.00 C ATOM 1119 CG2 VAL A 90 8.615 -6.320 -3.822 1.00 0.00 C ATOM 0 H VAL A 90 7.764 -8.221 -2.676 1.00 0.00 H new ATOM 0 HA VAL A 90 9.992 -9.465 -3.932 1.00 0.00 H new ATOM 0 HB VAL A 90 10.280 -7.117 -4.888 1.00 0.00 H new ATOM 0 HG11 VAL A 90 8.268 -7.322 -6.308 1.00 0.00 H new ATOM 0 HG12 VAL A 90 9.056 -8.897 -6.052 1.00 0.00 H new ATOM 0 HG13 VAL A 90 7.578 -8.485 -5.151 1.00 0.00 H new ATOM 0 HG21 VAL A 90 8.382 -5.576 -4.583 1.00 0.00 H new ATOM 0 HG22 VAL A 90 7.690 -6.676 -3.368 1.00 0.00 H new ATOM 0 HG23 VAL A 90 9.246 -5.870 -3.055 1.00 0.00 H new ATOM 1129 N LEU A 91 10.543 -7.419 -1.441 1.00 0.00 N ATOM 1130 CA LEU A 91 11.573 -6.986 -0.506 1.00 0.00 C ATOM 1131 C LEU A 91 11.857 -8.058 0.545 1.00 0.00 C ATOM 1132 O LEU A 91 12.985 -8.186 1.017 1.00 0.00 O ATOM 1133 CB LEU A 91 11.191 -5.652 0.159 1.00 0.00 C ATOM 1134 CG LEU A 91 9.994 -5.678 1.118 1.00 0.00 C ATOM 1135 CD1 LEU A 91 10.423 -6.063 2.528 1.00 0.00 C ATOM 1136 CD2 LEU A 91 9.314 -4.325 1.131 1.00 0.00 C ATOM 0 H LEU A 91 9.592 -7.163 -1.176 1.00 0.00 H new ATOM 0 HA LEU A 91 12.489 -6.829 -1.075 1.00 0.00 H new ATOM 0 HB2 LEU A 91 12.058 -5.285 0.707 1.00 0.00 H new ATOM 0 HB3 LEU A 91 10.981 -4.927 -0.628 1.00 0.00 H new ATOM 0 HG LEU A 91 9.291 -6.432 0.764 1.00 0.00 H new ATOM 0 HD11 LEU A 91 9.552 -6.072 3.183 1.00 0.00 H new ATOM 0 HD12 LEU A 91 10.876 -7.054 2.513 1.00 0.00 H new ATOM 0 HD13 LEU A 91 11.148 -5.338 2.898 1.00 0.00 H new ATOM 0 HD21 LEU A 91 8.465 -4.351 1.814 1.00 0.00 H new ATOM 0 HD22 LEU A 91 10.022 -3.565 1.461 1.00 0.00 H new ATOM 0 HD23 LEU A 91 8.965 -4.084 0.127 1.00 0.00 H new ATOM 1148 N SER A 92 10.840 -8.833 0.911 1.00 0.00 N ATOM 1149 CA SER A 92 11.005 -9.811 1.974 1.00 0.00 C ATOM 1150 C SER A 92 11.340 -11.191 1.398 1.00 0.00 C ATOM 1151 O SER A 92 12.501 -11.601 1.403 1.00 0.00 O ATOM 1152 CB SER A 92 9.732 -9.860 2.826 1.00 0.00 C ATOM 1153 OG SER A 92 9.948 -10.497 4.074 1.00 0.00 O ATOM 0 H SER A 92 9.910 -8.803 0.494 1.00 0.00 H new ATOM 0 HA SER A 92 11.840 -9.512 2.608 1.00 0.00 H new ATOM 0 HB2 SER A 92 9.371 -8.846 2.995 1.00 0.00 H new ATOM 0 HB3 SER A 92 8.951 -10.389 2.280 1.00 0.00 H new ATOM 0 HG SER A 92 9.112 -10.505 4.586 1.00 0.00 H new ATOM 1159 N SER A 93 10.334 -11.890 0.879 1.00 0.00 N ATOM 1160 CA SER A 93 10.539 -13.196 0.256 1.00 0.00 C ATOM 1161 C SER A 93 9.373 -13.533 -0.671 1.00 0.00 C ATOM 1162 O SER A 93 9.554 -13.724 -1.874 1.00 0.00 O ATOM 1163 CB SER A 93 10.695 -14.295 1.317 1.00 0.00 C ATOM 1164 OG SER A 93 11.828 -14.060 2.140 1.00 0.00 O ATOM 0 H SER A 93 9.365 -11.573 0.877 1.00 0.00 H new ATOM 0 HA SER A 93 11.458 -13.147 -0.328 1.00 0.00 H new ATOM 0 HB2 SER A 93 9.797 -14.338 1.934 1.00 0.00 H new ATOM 0 HB3 SER A 93 10.793 -15.264 0.828 1.00 0.00 H new ATOM 0 HG SER A 93 12.373 -13.345 1.750 1.00 0.00 H new ATOM 1170 N GLY A 94 8.176 -13.587 -0.110 1.00 0.00 N ATOM 1171 CA GLY A 94 7.006 -13.879 -0.904 1.00 0.00 C ATOM 1172 C GLY A 94 5.730 -13.792 -0.097 1.00 0.00 C ATOM 1173 O GLY A 94 5.702 -14.167 1.075 1.00 0.00 O ATOM 0 H GLY A 94 7.995 -13.433 0.882 1.00 0.00 H new ATOM 0 HA2 GLY A 94 6.953 -13.181 -1.740 1.00 0.00 H new ATOM 0 HA3 GLY A 94 7.098 -14.879 -1.329 1.00 0.00 H new ATOM 1177 N THR A 95 4.687 -13.265 -0.715 1.00 0.00 N ATOM 1178 CA THR A 95 3.367 -13.215 -0.100 1.00 0.00 C ATOM 1179 C THR A 95 2.309 -13.590 -1.129 1.00 0.00 C ATOM 1180 O THR A 95 2.608 -13.651 -2.322 1.00 0.00 O ATOM 1181 CB THR A 95 3.046 -11.824 0.487 1.00 0.00 C ATOM 1182 OG1 THR A 95 3.455 -10.790 -0.415 1.00 0.00 O ATOM 1183 CG2 THR A 95 3.728 -11.634 1.829 1.00 0.00 C ATOM 0 H THR A 95 4.728 -12.862 -1.651 1.00 0.00 H new ATOM 0 HA THR A 95 3.363 -13.928 0.724 1.00 0.00 H new ATOM 0 HB THR A 95 1.967 -11.762 0.631 1.00 0.00 H new ATOM 0 HG1 THR A 95 3.716 -9.995 0.095 1.00 0.00 H new ATOM 0 HG21 THR A 95 3.487 -10.647 2.223 1.00 0.00 H new ATOM 0 HG22 THR A 95 3.380 -12.397 2.525 1.00 0.00 H new ATOM 0 HG23 THR A 95 4.807 -11.721 1.704 1.00 0.00 H new ATOM 1191 N VAL A 96 1.087 -13.846 -0.678 1.00 0.00 N ATOM 1192 CA VAL A 96 0.003 -14.185 -1.591 1.00 0.00 C ATOM 1193 C VAL A 96 -0.268 -13.030 -2.552 1.00 0.00 C ATOM 1194 O VAL A 96 -0.401 -11.873 -2.138 1.00 0.00 O ATOM 1195 CB VAL A 96 -1.294 -14.574 -0.842 1.00 0.00 C ATOM 1196 CG1 VAL A 96 -1.089 -15.864 -0.062 1.00 0.00 C ATOM 1197 CG2 VAL A 96 -1.755 -13.460 0.087 1.00 0.00 C ATOM 0 H VAL A 96 0.823 -13.826 0.307 1.00 0.00 H new ATOM 0 HA VAL A 96 0.324 -15.057 -2.160 1.00 0.00 H new ATOM 0 HB VAL A 96 -2.074 -14.732 -1.586 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.010 -16.124 0.459 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -0.822 -16.666 -0.750 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -0.288 -15.727 0.664 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.668 -13.766 0.597 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -0.978 -13.256 0.824 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -1.949 -12.559 -0.494 1.00 0.00 H new ATOM 1207 N GLY A 97 -0.322 -13.351 -3.835 1.00 0.00 N ATOM 1208 CA GLY A 97 -0.447 -12.330 -4.853 1.00 0.00 C ATOM 1209 C GLY A 97 -1.869 -11.846 -5.027 1.00 0.00 C ATOM 1210 O GLY A 97 -2.715 -12.563 -5.564 1.00 0.00 O ATOM 0 H GLY A 97 -0.281 -14.306 -4.191 1.00 0.00 H new ATOM 0 HA2 GLY A 97 0.190 -11.485 -4.593 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -0.083 -12.724 -5.802 1.00 0.00 H new ATOM 1214 N SER A 98 -2.139 -10.638 -4.558 1.00 0.00 N ATOM 1215 CA SER A 98 -3.445 -10.025 -4.729 1.00 0.00 C ATOM 1216 C SER A 98 -3.361 -8.897 -5.756 1.00 0.00 C ATOM 1217 O SER A 98 -3.031 -7.758 -5.362 1.00 0.00 O ATOM 1218 CB SER A 98 -3.958 -9.497 -3.387 1.00 0.00 C ATOM 1219 OG SER A 98 -3.038 -8.577 -2.814 1.00 0.00 O ATOM 1220 OXT SER A 98 -3.594 -9.164 -6.954 1.00 0.00 O ATOM 0 H SER A 98 -1.466 -10.061 -4.053 1.00 0.00 H new ATOM 0 HA SER A 98 -4.147 -10.775 -5.094 1.00 0.00 H new ATOM 0 HB2 SER A 98 -4.923 -9.010 -3.529 1.00 0.00 H new ATOM 0 HB3 SER A 98 -4.119 -10.330 -2.702 1.00 0.00 H new ATOM 0 HG SER A 98 -3.094 -8.624 -1.837 1.00 0.00 H new TER 1226 SER A 98