USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 578 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 66 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 71 ASN : amide:sc= -0.203 K(o=-0.2,f=-4.4!) USER MOD Set 2.1: A 24 ASN : amide:sc= -7.69! C(o=-10!,f=-8.1!) USER MOD Set 2.2: A 26 HIS : no HD1:sc= -1.58! K(o=-10!,f=-11) USER MOD Set 2.3: A 36 THR OG1 : rot -55:sc= -0.806 USER MOD Set 2.4: A 88 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 23 CYS SG : rot -157:sc= 1.26 USER MOD Set 3.2: A 25 HIS : no HE2:sc= 0.268 K(o=4.2,f=1.2!) USER MOD Set 3.3: A 64 ASN : amide:sc= 1.08 K(o=4.2,f=-5.4!) USER MOD Set 3.4: A 70 CYS SG : rot 13:sc= 0.88 USER MOD Set 3.5: A 87 SER OG : rot 132:sc= 0.677 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -3 K(o=-3,f=-0.15) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 33 HIS : no HD1:sc= -0.0109 X(o=-0.011,f=-0.36) 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 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 56 LYS NZ :NH3+ -149:sc= 1.28 (180deg=1.1) USER MOD Single : A 63 LYS NZ :NH3+ 157:sc= -0.0924 (180deg=-0.574) USER MOD Single : A 69 HIS : no HD1: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+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.0389 K(o=-0.039,f=-1) USER MOD Single : A 83 SER OG : rot 180:sc=-0.00818 USER MOD Single : A 86 THR OG1 : rot -101:sc= -0.0269 USER MOD Single : A 92 SER OG : rot 150:sc= 0.147 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 19 19.572 -0.983 -3.939 1.00 0.00 N ATOM 2 CA SER A 19 19.707 0.238 -3.116 1.00 0.00 C ATOM 3 C SER A 19 18.328 0.838 -2.868 1.00 0.00 C ATOM 4 O SER A 19 17.806 0.777 -1.754 1.00 0.00 O ATOM 5 CB SER A 19 20.614 1.245 -3.827 1.00 0.00 C ATOM 6 OG SER A 19 20.892 2.361 -3.003 1.00 0.00 O ATOM 0 HA SER A 19 20.158 -0.015 -2.156 1.00 0.00 H new ATOM 0 HB2 SER A 19 21.547 0.759 -4.111 1.00 0.00 H new ATOM 0 HB3 SER A 19 20.136 1.580 -4.748 1.00 0.00 H new ATOM 0 HG SER A 19 21.475 2.985 -3.484 1.00 0.00 H new ATOM 14 N PHE A 20 17.743 1.418 -3.906 1.00 0.00 N ATOM 15 CA PHE A 20 16.353 1.817 -3.860 1.00 0.00 C ATOM 16 C PHE A 20 15.491 0.636 -4.271 1.00 0.00 C ATOM 17 O PHE A 20 15.758 -0.024 -5.278 1.00 0.00 O ATOM 18 CB PHE A 20 16.079 3.050 -4.736 1.00 0.00 C ATOM 19 CG PHE A 20 16.675 2.994 -6.118 1.00 0.00 C ATOM 20 CD1 PHE A 20 17.960 3.462 -6.353 1.00 0.00 C ATOM 21 CD2 PHE A 20 15.950 2.486 -7.181 1.00 0.00 C ATOM 22 CE1 PHE A 20 18.508 3.423 -7.620 1.00 0.00 C ATOM 23 CE2 PHE A 20 16.492 2.445 -8.451 1.00 0.00 C ATOM 24 CZ PHE A 20 17.773 2.914 -8.670 1.00 0.00 C ATOM 0 H PHE A 20 18.213 1.621 -4.788 1.00 0.00 H new ATOM 0 HA PHE A 20 16.102 2.111 -2.841 1.00 0.00 H new ATOM 0 HB2 PHE A 20 15.001 3.180 -4.827 1.00 0.00 H new ATOM 0 HB3 PHE A 20 16.465 3.933 -4.226 1.00 0.00 H new ATOM 0 HD1 PHE A 20 18.539 3.862 -5.534 1.00 0.00 H new ATOM 0 HD2 PHE A 20 14.948 2.117 -7.016 1.00 0.00 H new ATOM 0 HE1 PHE A 20 19.510 3.790 -7.788 1.00 0.00 H new ATOM 0 HE2 PHE A 20 15.915 2.047 -9.272 1.00 0.00 H new ATOM 0 HZ PHE A 20 18.198 2.882 -9.662 1.00 0.00 H new ATOM 34 N VAL A 21 14.476 0.364 -3.482 1.00 0.00 N ATOM 35 CA VAL A 21 13.722 -0.870 -3.612 1.00 0.00 C ATOM 36 C VAL A 21 12.240 -0.607 -3.881 1.00 0.00 C ATOM 37 O VAL A 21 11.654 0.343 -3.359 1.00 0.00 O ATOM 38 CB VAL A 21 13.911 -1.741 -2.343 1.00 0.00 C ATOM 39 CG1 VAL A 21 13.783 -0.887 -1.102 1.00 0.00 C ATOM 40 CG2 VAL A 21 12.922 -2.895 -2.291 1.00 0.00 C ATOM 0 H VAL A 21 14.150 0.982 -2.739 1.00 0.00 H new ATOM 0 HA VAL A 21 14.109 -1.412 -4.475 1.00 0.00 H new ATOM 0 HB VAL A 21 14.912 -2.170 -2.386 1.00 0.00 H new ATOM 0 HG11 VAL A 21 13.917 -1.509 -0.217 1.00 0.00 H new ATOM 0 HG12 VAL A 21 14.545 -0.107 -1.117 1.00 0.00 H new ATOM 0 HG13 VAL A 21 12.795 -0.428 -1.076 1.00 0.00 H new ATOM 0 HG21 VAL A 21 13.091 -3.478 -1.386 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.905 -2.503 -2.286 1.00 0.00 H new ATOM 0 HG23 VAL A 21 13.060 -3.532 -3.164 1.00 0.00 H new ATOM 50 N GLN A 22 11.653 -1.440 -4.728 1.00 0.00 N ATOM 51 CA GLN A 22 10.231 -1.378 -5.011 1.00 0.00 C ATOM 52 C GLN A 22 9.524 -2.459 -4.206 1.00 0.00 C ATOM 53 O GLN A 22 10.097 -3.517 -3.961 1.00 0.00 O ATOM 54 CB GLN A 22 9.977 -1.551 -6.515 1.00 0.00 C ATOM 55 CG GLN A 22 10.453 -2.882 -7.075 1.00 0.00 C ATOM 56 CD GLN A 22 9.312 -3.808 -7.456 1.00 0.00 C ATOM 57 OE1 GLN A 22 9.450 -4.647 -8.342 1.00 0.00 O ATOM 58 NE2 GLN A 22 8.171 -3.658 -6.800 1.00 0.00 N ATOM 0 H GLN A 22 12.148 -2.174 -5.235 1.00 0.00 H new ATOM 0 HA GLN A 22 9.837 -0.403 -4.723 1.00 0.00 H new ATOM 0 HB2 GLN A 22 8.909 -1.450 -6.706 1.00 0.00 H new ATOM 0 HB3 GLN A 22 10.475 -0.744 -7.052 1.00 0.00 H new ATOM 0 HG2 GLN A 22 11.074 -2.700 -7.952 1.00 0.00 H new ATOM 0 HG3 GLN A 22 11.083 -3.376 -6.336 1.00 0.00 H new ATOM 0 HE21 GLN A 22 8.092 -2.951 -6.069 1.00 0.00 H new ATOM 0 HE22 GLN A 22 7.372 -4.250 -7.025 1.00 0.00 H new ATOM 67 N CYS A 23 8.290 -2.207 -3.785 1.00 0.00 N ATOM 68 CA CYS A 23 7.594 -3.161 -2.933 1.00 0.00 C ATOM 69 C CYS A 23 6.084 -3.134 -3.143 1.00 0.00 C ATOM 70 O CYS A 23 5.498 -2.099 -3.459 1.00 0.00 O ATOM 71 CB CYS A 23 7.926 -2.873 -1.468 1.00 0.00 C ATOM 72 SG CYS A 23 7.666 -1.153 -0.970 1.00 0.00 S ATOM 0 H CYS A 23 7.760 -1.366 -4.015 1.00 0.00 H new ATOM 0 HA CYS A 23 7.936 -4.159 -3.205 1.00 0.00 H new ATOM 0 HB2 CYS A 23 7.316 -3.518 -0.836 1.00 0.00 H new ATOM 0 HB3 CYS A 23 8.967 -3.139 -1.284 1.00 0.00 H new ATOM 0 HG CYS A 23 8.401 -0.886 0.069 1.00 0.00 H new ATOM 78 N ASN A 24 5.453 -4.288 -2.977 1.00 0.00 N ATOM 79 CA ASN A 24 4.001 -4.356 -3.015 1.00 0.00 C ATOM 80 C ASN A 24 3.440 -3.735 -1.754 1.00 0.00 C ATOM 81 O ASN A 24 3.610 -4.258 -0.656 1.00 0.00 O ATOM 82 CB ASN A 24 3.493 -5.798 -3.187 1.00 0.00 C ATOM 83 CG ASN A 24 4.384 -6.830 -2.532 1.00 0.00 C ATOM 84 OD1 ASN A 24 4.252 -7.127 -1.344 1.00 0.00 O ATOM 85 ND2 ASN A 24 5.288 -7.398 -3.316 1.00 0.00 N ATOM 0 H ASN A 24 5.919 -5.181 -2.816 1.00 0.00 H new ATOM 0 HA ASN A 24 3.655 -3.797 -3.885 1.00 0.00 H new ATOM 0 HB2 ASN A 24 2.490 -5.875 -2.766 1.00 0.00 H new ATOM 0 HB3 ASN A 24 3.411 -6.022 -4.251 1.00 0.00 H new ATOM 0 HD21 ASN A 24 5.911 -8.113 -2.941 1.00 0.00 H new ATOM 0 HD22 ASN A 24 5.361 -7.120 -4.295 1.00 0.00 H new ATOM 92 N HIS A 25 2.807 -2.591 -1.919 1.00 0.00 N ATOM 93 CA HIS A 25 2.248 -1.853 -0.803 1.00 0.00 C ATOM 94 C HIS A 25 0.963 -2.523 -0.333 1.00 0.00 C ATOM 95 O HIS A 25 -0.050 -2.473 -1.029 1.00 0.00 O ATOM 96 CB HIS A 25 1.974 -0.408 -1.226 1.00 0.00 C ATOM 97 CG HIS A 25 3.200 0.454 -1.322 1.00 0.00 C ATOM 98 ND1 HIS A 25 4.355 0.074 -1.974 1.00 0.00 N ATOM 99 CD2 HIS A 25 3.436 1.701 -0.849 1.00 0.00 C ATOM 100 CE1 HIS A 25 5.243 1.047 -1.893 1.00 0.00 C ATOM 101 NE2 HIS A 25 4.712 2.047 -1.220 1.00 0.00 N ATOM 0 H HIS A 25 2.666 -2.148 -2.827 1.00 0.00 H new ATOM 0 HA HIS A 25 2.960 -1.848 0.022 1.00 0.00 H new ATOM 0 HB2 HIS A 25 1.473 -0.415 -2.194 1.00 0.00 H new ATOM 0 HB3 HIS A 25 1.284 0.042 -0.513 1.00 0.00 H new ATOM 0 HD1 HIS A 25 4.500 -0.819 -2.445 1.00 0.00 H new ATOM 0 HD2 HIS A 25 2.747 2.311 -0.284 1.00 0.00 H new ATOM 0 HE1 HIS A 25 6.239 1.027 -2.309 1.00 0.00 H new ATOM 110 N HIS A 26 1.013 -3.179 0.821 1.00 0.00 N ATOM 111 CA HIS A 26 -0.141 -3.919 1.328 1.00 0.00 C ATOM 112 C HIS A 26 -1.148 -2.983 1.983 1.00 0.00 C ATOM 113 O HIS A 26 -0.802 -2.204 2.870 1.00 0.00 O ATOM 114 CB HIS A 26 0.287 -4.995 2.341 1.00 0.00 C ATOM 115 CG HIS A 26 0.988 -6.177 1.738 1.00 0.00 C ATOM 116 ND1 HIS A 26 0.676 -7.482 2.061 1.00 0.00 N ATOM 117 CD2 HIS A 26 2.001 -6.250 0.843 1.00 0.00 C ATOM 118 CE1 HIS A 26 1.464 -8.301 1.390 1.00 0.00 C ATOM 119 NE2 HIS A 26 2.277 -7.578 0.646 1.00 0.00 N ATOM 0 H HIS A 26 1.836 -3.215 1.422 1.00 0.00 H new ATOM 0 HA HIS A 26 -0.610 -4.405 0.473 1.00 0.00 H new ATOM 0 HB2 HIS A 26 0.944 -4.538 3.081 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -0.597 -5.346 2.873 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.500 -5.416 0.371 1.00 0.00 H new ATOM 0 HE1 HIS A 26 1.446 -9.380 1.442 1.00 0.00 H new ATOM 0 HE2 HIS A 26 2.996 -7.947 0.024 1.00 0.00 H new ATOM 128 N LEU A 27 -2.391 -3.067 1.540 1.00 0.00 N ATOM 129 CA LEU A 27 -3.474 -2.335 2.164 1.00 0.00 C ATOM 130 C LEU A 27 -4.216 -3.289 3.090 1.00 0.00 C ATOM 131 O LEU A 27 -4.656 -4.365 2.670 1.00 0.00 O ATOM 132 CB LEU A 27 -4.421 -1.762 1.095 1.00 0.00 C ATOM 133 CG LEU A 27 -5.328 -0.596 1.536 1.00 0.00 C ATOM 134 CD1 LEU A 27 -6.338 -1.039 2.581 1.00 0.00 C ATOM 135 CD2 LEU A 27 -4.493 0.553 2.077 1.00 0.00 C ATOM 0 H LEU A 27 -2.674 -3.640 0.745 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.081 -1.495 2.736 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.819 -1.426 0.250 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.056 -2.570 0.733 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.877 -0.257 0.657 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.960 -0.191 2.868 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.967 -1.827 2.168 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.812 -1.417 3.458 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.150 1.367 2.383 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.915 0.210 2.935 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -3.815 0.907 1.301 1.00 0.00 H new ATOM 147 N LEU A 28 -4.340 -2.900 4.343 1.00 0.00 N ATOM 148 CA LEU A 28 -4.951 -3.743 5.349 1.00 0.00 C ATOM 149 C LEU A 28 -6.324 -3.221 5.735 1.00 0.00 C ATOM 150 O LEU A 28 -6.486 -2.065 6.121 1.00 0.00 O ATOM 151 CB LEU A 28 -4.059 -3.820 6.589 1.00 0.00 C ATOM 152 CG LEU A 28 -3.540 -5.219 6.928 1.00 0.00 C ATOM 153 CD1 LEU A 28 -4.695 -6.184 7.166 1.00 0.00 C ATOM 154 CD2 LEU A 28 -2.625 -5.724 5.824 1.00 0.00 C ATOM 0 H LEU A 28 -4.022 -1.995 4.691 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.066 -4.741 4.927 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.205 -3.157 6.445 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.618 -3.439 7.444 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.963 -5.159 7.851 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.301 -7.172 7.405 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.304 -5.825 7.996 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.308 -6.246 6.267 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.263 -6.720 6.079 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.177 -5.767 4.885 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.778 -5.047 5.716 1.00 0.00 H new ATOM 166 N TYR A 29 -7.311 -4.081 5.630 1.00 0.00 N ATOM 167 CA TYR A 29 -8.649 -3.742 6.067 1.00 0.00 C ATOM 168 C TYR A 29 -8.855 -4.365 7.432 1.00 0.00 C ATOM 169 O TYR A 29 -8.220 -5.373 7.739 1.00 0.00 O ATOM 170 CB TYR A 29 -9.696 -4.250 5.065 1.00 0.00 C ATOM 171 CG TYR A 29 -11.094 -3.718 5.314 1.00 0.00 C ATOM 172 CD1 TYR A 29 -11.300 -2.391 5.666 1.00 0.00 C ATOM 173 CD2 TYR A 29 -12.208 -4.538 5.184 1.00 0.00 C ATOM 174 CE1 TYR A 29 -12.571 -1.894 5.884 1.00 0.00 C ATOM 175 CE2 TYR A 29 -13.486 -4.048 5.400 1.00 0.00 C ATOM 176 CZ TYR A 29 -13.661 -2.725 5.749 1.00 0.00 C ATOM 177 OH TYR A 29 -14.932 -2.232 5.966 1.00 0.00 O ATOM 0 H TYR A 29 -7.214 -5.021 5.246 1.00 0.00 H new ATOM 0 HA TYR A 29 -8.767 -2.660 6.126 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -9.386 -3.971 4.058 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -9.721 -5.339 5.101 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -10.450 -1.734 5.772 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -12.076 -5.574 4.910 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -12.709 -0.859 6.159 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -14.341 -4.699 5.296 1.00 0.00 H new ATOM 0 HH TYR A 29 -15.588 -2.947 5.829 1.00 0.00 H new ATOM 187 N ASN A 30 -9.696 -3.750 8.256 1.00 0.00 N ATOM 188 CA ASN A 30 -9.950 -4.238 9.609 1.00 0.00 C ATOM 189 C ASN A 30 -10.238 -5.735 9.605 1.00 0.00 C ATOM 190 O ASN A 30 -11.335 -6.170 9.242 1.00 0.00 O ATOM 191 CB ASN A 30 -11.123 -3.485 10.241 1.00 0.00 C ATOM 192 CG ASN A 30 -11.385 -3.913 11.674 1.00 0.00 C ATOM 193 OD1 ASN A 30 -12.138 -4.854 11.930 1.00 0.00 O ATOM 194 ND2 ASN A 30 -10.772 -3.219 12.617 1.00 0.00 N ATOM 0 H ASN A 30 -10.217 -2.908 8.010 1.00 0.00 H new ATOM 0 HA ASN A 30 -9.053 -4.059 10.201 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -10.919 -2.415 10.217 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -12.021 -3.652 9.646 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -10.915 -3.456 13.599 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -10.156 -2.447 12.363 1.00 0.00 H new ATOM 201 N GLY A 31 -9.234 -6.518 9.983 1.00 0.00 N ATOM 202 CA GLY A 31 -9.394 -7.951 10.034 1.00 0.00 C ATOM 203 C GLY A 31 -8.457 -8.692 9.097 1.00 0.00 C ATOM 204 O GLY A 31 -7.724 -9.581 9.532 1.00 0.00 O ATOM 0 H GLY A 31 -8.311 -6.180 10.255 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.222 -8.293 11.055 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.424 -8.204 9.782 1.00 0.00 H new ATOM 208 N ARG A 32 -8.455 -8.321 7.818 1.00 0.00 N ATOM 209 CA ARG A 32 -7.738 -9.094 6.805 1.00 0.00 C ATOM 210 C ARG A 32 -7.188 -8.222 5.680 1.00 0.00 C ATOM 211 O ARG A 32 -7.620 -7.087 5.477 1.00 0.00 O ATOM 212 CB ARG A 32 -8.654 -10.164 6.198 1.00 0.00 C ATOM 213 CG ARG A 32 -8.859 -11.385 7.081 1.00 0.00 C ATOM 214 CD ARG A 32 -7.560 -12.148 7.293 1.00 0.00 C ATOM 215 NE ARG A 32 -6.988 -12.634 6.036 1.00 0.00 N ATOM 216 CZ ARG A 32 -5.770 -13.169 5.930 1.00 0.00 C ATOM 217 NH1 ARG A 32 -4.981 -13.255 6.995 1.00 0.00 N ATOM 218 NH2 ARG A 32 -5.339 -13.621 4.762 1.00 0.00 N ATOM 0 H ARG A 32 -8.938 -7.497 7.460 1.00 0.00 H new ATOM 0 HA ARG A 32 -6.895 -9.560 7.315 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -9.625 -9.717 5.985 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -8.235 -10.486 5.244 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -9.260 -11.074 8.045 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -9.598 -12.044 6.626 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -6.838 -11.501 7.791 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -7.742 -12.993 7.957 1.00 0.00 H new ATOM 0 HE ARG A 32 -7.554 -12.559 5.191 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -5.305 -12.911 7.899 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -4.051 -13.665 6.909 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -5.939 -13.561 3.939 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -4.407 -14.029 4.685 1.00 0.00 H new ATOM 232 N HIS A 33 -6.217 -8.787 4.968 1.00 0.00 N ATOM 233 CA HIS A 33 -5.670 -8.207 3.746 1.00 0.00 C ATOM 234 C HIS A 33 -6.782 -7.790 2.788 1.00 0.00 C ATOM 235 O HIS A 33 -7.712 -8.555 2.542 1.00 0.00 O ATOM 236 CB HIS A 33 -4.765 -9.261 3.087 1.00 0.00 C ATOM 237 CG HIS A 33 -4.521 -9.068 1.614 1.00 0.00 C ATOM 238 ND1 HIS A 33 -5.350 -9.595 0.644 1.00 0.00 N ATOM 239 CD2 HIS A 33 -3.535 -8.420 0.945 1.00 0.00 C ATOM 240 CE1 HIS A 33 -4.889 -9.285 -0.548 1.00 0.00 C ATOM 241 NE2 HIS A 33 -3.792 -8.571 -0.398 1.00 0.00 N ATOM 0 H HIS A 33 -5.782 -9.673 5.227 1.00 0.00 H new ATOM 0 HA HIS A 33 -5.100 -7.310 3.988 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -3.804 -9.263 3.601 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -5.210 -10.244 3.239 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -2.705 -7.886 1.384 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -5.334 -9.568 -1.490 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -3.225 -8.191 -1.156 1.00 0.00 H new ATOM 250 N TRP A 34 -6.684 -6.581 2.246 1.00 0.00 N ATOM 251 CA TRP A 34 -7.647 -6.128 1.255 1.00 0.00 C ATOM 252 C TRP A 34 -7.037 -6.206 -0.146 1.00 0.00 C ATOM 253 O TRP A 34 -7.586 -6.853 -1.038 1.00 0.00 O ATOM 254 CB TRP A 34 -8.111 -4.698 1.554 1.00 0.00 C ATOM 255 CG TRP A 34 -9.379 -4.333 0.841 1.00 0.00 C ATOM 256 CD1 TRP A 34 -10.652 -4.532 1.296 1.00 0.00 C ATOM 257 CD2 TRP A 34 -9.505 -3.721 -0.449 1.00 0.00 C ATOM 258 NE1 TRP A 34 -11.558 -4.082 0.371 1.00 0.00 N ATOM 259 CE2 TRP A 34 -10.881 -3.578 -0.707 1.00 0.00 C ATOM 260 CE3 TRP A 34 -8.590 -3.277 -1.411 1.00 0.00 C ATOM 261 CZ2 TRP A 34 -11.364 -3.015 -1.885 1.00 0.00 C ATOM 262 CZ3 TRP A 34 -9.071 -2.717 -2.579 1.00 0.00 C ATOM 263 CH2 TRP A 34 -10.447 -2.589 -2.806 1.00 0.00 C ATOM 0 H TRP A 34 -5.955 -5.905 2.474 1.00 0.00 H new ATOM 0 HA TRP A 34 -8.517 -6.783 1.300 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -8.260 -4.587 2.628 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -7.325 -3.999 1.267 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -10.907 -4.979 2.246 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -12.573 -4.117 0.470 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -7.527 -3.371 -1.243 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -12.424 -2.918 -2.065 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -8.375 -2.372 -3.329 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -10.791 -2.144 -3.728 1.00 0.00 H new ATOM 274 N GLY A 35 -5.893 -5.554 -0.325 1.00 0.00 N ATOM 275 CA GLY A 35 -5.217 -5.559 -1.611 1.00 0.00 C ATOM 276 C GLY A 35 -3.789 -5.071 -1.492 1.00 0.00 C ATOM 277 O GLY A 35 -3.326 -4.783 -0.390 1.00 0.00 O ATOM 0 H GLY A 35 -5.419 -5.019 0.402 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.224 -6.568 -2.022 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.761 -4.926 -2.311 1.00 0.00 H new ATOM 281 N THR A 36 -3.081 -4.990 -2.610 1.00 0.00 N ATOM 282 CA THR A 36 -1.715 -4.505 -2.605 1.00 0.00 C ATOM 283 C THR A 36 -1.365 -3.912 -3.969 1.00 0.00 C ATOM 284 O THR A 36 -1.811 -4.416 -5.004 1.00 0.00 O ATOM 285 CB THR A 36 -0.715 -5.631 -2.233 1.00 0.00 C ATOM 286 OG1 THR A 36 0.542 -5.068 -1.860 1.00 0.00 O ATOM 287 CG2 THR A 36 -0.504 -6.601 -3.384 1.00 0.00 C ATOM 0 H THR A 36 -3.433 -5.255 -3.530 1.00 0.00 H new ATOM 0 HA THR A 36 -1.636 -3.727 -1.846 1.00 0.00 H new ATOM 0 HB THR A 36 -1.143 -6.181 -1.394 1.00 0.00 H new ATOM 0 HG1 THR A 36 0.867 -4.488 -2.580 1.00 0.00 H new ATOM 0 HG21 THR A 36 0.203 -7.374 -3.083 1.00 0.00 H new ATOM 0 HG22 THR A 36 -1.455 -7.062 -3.650 1.00 0.00 H new ATOM 0 HG23 THR A 36 -0.108 -6.063 -4.245 1.00 0.00 H new ATOM 295 N ILE A 37 -0.611 -2.818 -3.969 1.00 0.00 N ATOM 296 CA ILE A 37 -0.158 -2.201 -5.208 1.00 0.00 C ATOM 297 C ILE A 37 1.369 -2.262 -5.292 1.00 0.00 C ATOM 298 O ILE A 37 2.073 -1.798 -4.390 1.00 0.00 O ATOM 299 CB ILE A 37 -0.623 -0.723 -5.366 1.00 0.00 C ATOM 300 CG1 ILE A 37 -2.142 -0.607 -5.616 1.00 0.00 C ATOM 301 CG2 ILE A 37 0.120 -0.069 -6.522 1.00 0.00 C ATOM 302 CD1 ILE A 37 -3.020 -1.096 -4.481 1.00 0.00 C ATOM 0 H ILE A 37 -0.301 -2.340 -3.123 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.612 -2.769 -6.020 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.398 -0.215 -4.428 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -2.383 0.437 -5.817 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.390 -1.170 -6.515 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.209 0.965 -6.628 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.192 -0.090 -6.324 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -0.090 -0.613 -7.443 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -4.068 -0.973 -4.753 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.816 -2.150 -4.291 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -2.808 -0.518 -3.582 1.00 0.00 H new ATOM 314 N ARG A 38 1.868 -2.852 -6.366 1.00 0.00 N ATOM 315 CA ARG A 38 3.300 -3.000 -6.580 1.00 0.00 C ATOM 316 C ARG A 38 3.926 -1.672 -7.014 1.00 0.00 C ATOM 317 O ARG A 38 3.844 -1.296 -8.182 1.00 0.00 O ATOM 318 CB ARG A 38 3.543 -4.054 -7.661 1.00 0.00 C ATOM 319 CG ARG A 38 4.959 -4.597 -7.699 1.00 0.00 C ATOM 320 CD ARG A 38 5.237 -5.522 -6.526 1.00 0.00 C ATOM 321 NE ARG A 38 4.316 -6.656 -6.484 1.00 0.00 N ATOM 322 CZ ARG A 38 4.693 -7.931 -6.561 1.00 0.00 C ATOM 323 NH1 ARG A 38 5.938 -8.249 -6.884 1.00 0.00 N ATOM 324 NH2 ARG A 38 3.805 -8.891 -6.372 1.00 0.00 N ATOM 0 H ARG A 38 1.294 -3.242 -7.113 1.00 0.00 H new ATOM 0 HA ARG A 38 3.762 -3.311 -5.643 1.00 0.00 H new ATOM 0 HB2 ARG A 38 2.853 -4.883 -7.505 1.00 0.00 H new ATOM 0 HB3 ARG A 38 3.306 -3.621 -8.633 1.00 0.00 H new ATOM 0 HG2 ARG A 38 5.117 -5.136 -8.633 1.00 0.00 H new ATOM 0 HG3 ARG A 38 5.667 -3.768 -7.685 1.00 0.00 H new ATOM 0 HD2 ARG A 38 6.261 -5.890 -6.591 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.159 -4.959 -5.596 1.00 0.00 H new ATOM 0 HE ARG A 38 3.320 -6.458 -6.390 1.00 0.00 H new ATOM 0 HH11 ARG A 38 6.619 -7.514 -7.077 1.00 0.00 H new ATOM 0 HH12 ARG A 38 6.216 -9.229 -6.940 1.00 0.00 H new ATOM 0 HH21 ARG A 38 2.834 -8.655 -6.168 1.00 0.00 H new ATOM 0 HH22 ARG A 38 4.090 -9.868 -6.430 1.00 0.00 H new ATOM 338 N LYS A 39 4.542 -0.958 -6.079 1.00 0.00 N ATOM 339 CA LYS A 39 5.203 0.303 -6.406 1.00 0.00 C ATOM 340 C LYS A 39 6.461 0.506 -5.565 1.00 0.00 C ATOM 341 O LYS A 39 6.528 0.089 -4.412 1.00 0.00 O ATOM 342 CB LYS A 39 4.235 1.476 -6.220 1.00 0.00 C ATOM 343 CG LYS A 39 4.880 2.833 -6.467 1.00 0.00 C ATOM 344 CD LYS A 39 3.867 3.888 -6.880 1.00 0.00 C ATOM 345 CE LYS A 39 3.253 3.561 -8.236 1.00 0.00 C ATOM 346 NZ LYS A 39 2.607 4.749 -8.857 1.00 0.00 N ATOM 0 H LYS A 39 4.598 -1.226 -5.096 1.00 0.00 H new ATOM 0 HA LYS A 39 5.507 0.262 -7.452 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.391 1.353 -6.899 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.835 1.451 -5.207 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.392 3.159 -5.562 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.638 2.736 -7.245 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.081 3.955 -6.128 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.351 4.864 -6.923 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.027 3.180 -8.902 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.515 2.767 -8.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.202 4.483 -9.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.851 5.098 -8.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.316 5.498 -8.994 1.00 0.00 H new ATOM 360 N LYS A 40 7.460 1.133 -6.168 1.00 0.00 N ATOM 361 CA LYS A 40 8.741 1.389 -5.518 1.00 0.00 C ATOM 362 C LYS A 40 8.600 2.338 -4.329 1.00 0.00 C ATOM 363 O LYS A 40 7.697 3.178 -4.282 1.00 0.00 O ATOM 364 CB LYS A 40 9.727 1.941 -6.548 1.00 0.00 C ATOM 365 CG LYS A 40 9.252 3.205 -7.239 1.00 0.00 C ATOM 366 CD LYS A 40 9.907 3.373 -8.598 1.00 0.00 C ATOM 367 CE LYS A 40 11.417 3.224 -8.524 1.00 0.00 C ATOM 368 NZ LYS A 40 12.044 3.360 -9.863 1.00 0.00 N ATOM 0 H LYS A 40 7.407 1.481 -7.125 1.00 0.00 H new ATOM 0 HA LYS A 40 9.121 0.448 -5.120 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.677 2.144 -6.054 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.916 1.176 -7.301 1.00 0.00 H new ATOM 0 HG2 LYS A 40 8.169 3.172 -7.357 1.00 0.00 H new ATOM 0 HG3 LYS A 40 9.478 4.070 -6.615 1.00 0.00 H new ATOM 0 HD2 LYS A 40 9.503 2.633 -9.289 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.659 4.355 -9.001 1.00 0.00 H new ATOM 0 HE2 LYS A 40 11.825 3.978 -7.852 1.00 0.00 H new ATOM 0 HE3 LYS A 40 11.667 2.251 -8.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 13.075 3.253 -9.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 11.672 2.624 -10.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 11.825 4.298 -10.255 1.00 0.00 H new ATOM 382 N ALA A 41 9.504 2.182 -3.368 1.00 0.00 N ATOM 383 CA ALA A 41 9.465 2.937 -2.126 1.00 0.00 C ATOM 384 C ALA A 41 9.800 4.408 -2.345 1.00 0.00 C ATOM 385 O ALA A 41 10.655 4.749 -3.162 1.00 0.00 O ATOM 386 CB ALA A 41 10.427 2.325 -1.125 1.00 0.00 C ATOM 0 H ALA A 41 10.284 1.528 -3.431 1.00 0.00 H new ATOM 0 HA ALA A 41 8.448 2.888 -1.736 1.00 0.00 H new ATOM 0 HB1 ALA A 41 10.395 2.893 -0.195 1.00 0.00 H new ATOM 0 HB2 ALA A 41 10.140 1.292 -0.929 1.00 0.00 H new ATOM 0 HB3 ALA A 41 11.438 2.349 -1.531 1.00 0.00 H new ATOM 392 N GLY A 42 9.113 5.271 -1.610 1.00 0.00 N ATOM 393 CA GLY A 42 9.360 6.694 -1.706 1.00 0.00 C ATOM 394 C GLY A 42 8.319 7.402 -2.542 1.00 0.00 C ATOM 395 O GLY A 42 8.006 8.569 -2.305 1.00 0.00 O ATOM 0 H GLY A 42 8.385 5.008 -0.946 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.375 7.126 -0.705 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.346 6.861 -2.140 1.00 0.00 H new ATOM 399 N TRP A 43 7.777 6.696 -3.515 1.00 0.00 N ATOM 400 CA TRP A 43 6.776 7.268 -4.396 1.00 0.00 C ATOM 401 C TRP A 43 5.380 7.041 -3.834 1.00 0.00 C ATOM 402 O TRP A 43 5.083 5.975 -3.284 1.00 0.00 O ATOM 403 CB TRP A 43 6.904 6.672 -5.799 1.00 0.00 C ATOM 404 CG TRP A 43 8.214 6.998 -6.452 1.00 0.00 C ATOM 405 CD1 TRP A 43 9.409 6.370 -6.246 1.00 0.00 C ATOM 406 CD2 TRP A 43 8.468 8.036 -7.407 1.00 0.00 C ATOM 407 NE1 TRP A 43 10.387 6.947 -7.018 1.00 0.00 N ATOM 408 CE2 TRP A 43 9.834 7.972 -7.740 1.00 0.00 C ATOM 409 CE3 TRP A 43 7.671 9.010 -8.016 1.00 0.00 C ATOM 410 CZ2 TRP A 43 10.421 8.846 -8.653 1.00 0.00 C ATOM 411 CZ3 TRP A 43 8.256 9.877 -8.921 1.00 0.00 C ATOM 412 CH2 TRP A 43 9.618 9.788 -9.232 1.00 0.00 C ATOM 0 H TRP A 43 8.013 5.724 -3.716 1.00 0.00 H new ATOM 0 HA TRP A 43 6.942 8.343 -4.464 1.00 0.00 H new ATOM 0 HB2 TRP A 43 6.792 5.589 -5.740 1.00 0.00 H new ATOM 0 HB3 TRP A 43 6.090 7.043 -6.422 1.00 0.00 H new ATOM 0 HD1 TRP A 43 9.563 5.539 -5.573 1.00 0.00 H new ATOM 0 HE1 TRP A 43 11.365 6.660 -7.049 1.00 0.00 H new ATOM 0 HE3 TRP A 43 6.619 9.084 -7.784 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 11.472 8.781 -8.894 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 7.652 10.636 -9.396 1.00 0.00 H new ATOM 0 HH2 TRP A 43 10.043 10.479 -9.945 1.00 0.00 H new ATOM 423 N ALA A 44 4.538 8.059 -3.954 1.00 0.00 N ATOM 424 CA ALA A 44 3.192 8.012 -3.414 1.00 0.00 C ATOM 425 C ALA A 44 2.301 7.099 -4.249 1.00 0.00 C ATOM 426 O ALA A 44 2.260 7.209 -5.475 1.00 0.00 O ATOM 427 CB ALA A 44 2.609 9.413 -3.356 1.00 0.00 C ATOM 0 H ALA A 44 4.770 8.933 -4.426 1.00 0.00 H new ATOM 0 HA ALA A 44 3.239 7.604 -2.404 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.598 9.370 -2.950 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.231 10.040 -2.717 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.579 9.836 -4.360 1.00 0.00 H new ATOM 433 N VAL A 45 1.596 6.198 -3.585 1.00 0.00 N ATOM 434 CA VAL A 45 0.723 5.261 -4.268 1.00 0.00 C ATOM 435 C VAL A 45 -0.709 5.414 -3.764 1.00 0.00 C ATOM 436 O VAL A 45 -0.936 5.853 -2.632 1.00 0.00 O ATOM 437 CB VAL A 45 1.208 3.806 -4.074 1.00 0.00 C ATOM 438 CG1 VAL A 45 0.999 3.337 -2.643 1.00 0.00 C ATOM 439 CG2 VAL A 45 0.519 2.878 -5.058 1.00 0.00 C ATOM 0 H VAL A 45 1.612 6.096 -2.570 1.00 0.00 H new ATOM 0 HA VAL A 45 0.750 5.486 -5.334 1.00 0.00 H new ATOM 0 HB VAL A 45 2.280 3.781 -4.272 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.351 2.310 -2.542 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.558 3.981 -1.964 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -0.062 3.383 -2.396 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.873 1.858 -4.906 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.559 2.915 -4.899 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.747 3.193 -6.076 1.00 0.00 H new ATOM 449 N ARG A 46 -1.669 5.065 -4.610 1.00 0.00 N ATOM 450 CA ARG A 46 -3.073 5.250 -4.285 1.00 0.00 C ATOM 451 C ARG A 46 -3.683 3.963 -3.735 1.00 0.00 C ATOM 452 O ARG A 46 -3.344 2.861 -4.171 1.00 0.00 O ATOM 453 CB ARG A 46 -3.860 5.725 -5.523 1.00 0.00 C ATOM 454 CG ARG A 46 -4.376 4.608 -6.438 1.00 0.00 C ATOM 455 CD ARG A 46 -3.258 3.837 -7.131 1.00 0.00 C ATOM 456 NE ARG A 46 -2.463 4.687 -8.016 1.00 0.00 N ATOM 457 CZ ARG A 46 -1.887 4.263 -9.144 1.00 0.00 C ATOM 458 NH1 ARG A 46 -2.026 3.005 -9.550 1.00 0.00 N ATOM 459 NH2 ARG A 46 -1.185 5.114 -9.876 1.00 0.00 N ATOM 0 H ARG A 46 -1.499 4.652 -5.527 1.00 0.00 H new ATOM 0 HA ARG A 46 -3.138 6.017 -3.513 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -4.710 6.319 -5.187 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.221 6.386 -6.108 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -4.977 3.914 -5.851 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -5.033 5.040 -7.193 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -2.607 3.391 -6.379 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -3.688 3.018 -7.707 1.00 0.00 H new ATOM 0 HE ARG A 46 -2.341 5.666 -7.756 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -2.578 2.349 -8.998 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -1.580 2.696 -10.414 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -1.088 6.084 -9.577 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -0.742 4.799 -10.739 1.00 0.00 H new ATOM 473 N PHE A 47 -4.561 4.111 -2.760 1.00 0.00 N ATOM 474 CA PHE A 47 -5.361 3.002 -2.275 1.00 0.00 C ATOM 475 C PHE A 47 -6.823 3.406 -2.287 1.00 0.00 C ATOM 476 O PHE A 47 -7.173 4.501 -1.846 1.00 0.00 O ATOM 477 CB PHE A 47 -4.940 2.586 -0.866 1.00 0.00 C ATOM 478 CG PHE A 47 -3.552 2.018 -0.791 1.00 0.00 C ATOM 479 CD1 PHE A 47 -3.276 0.763 -1.308 1.00 0.00 C ATOM 480 CD2 PHE A 47 -2.526 2.733 -0.198 1.00 0.00 C ATOM 481 CE1 PHE A 47 -2.002 0.235 -1.236 1.00 0.00 C ATOM 482 CE2 PHE A 47 -1.252 2.208 -0.122 1.00 0.00 C ATOM 483 CZ PHE A 47 -0.990 0.959 -0.642 1.00 0.00 C ATOM 0 H PHE A 47 -4.739 4.996 -2.285 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.206 2.145 -2.930 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -5.004 3.452 -0.207 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -5.646 1.846 -0.489 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -4.066 0.191 -1.772 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -2.725 3.713 0.210 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -1.799 -0.744 -1.644 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -0.461 2.776 0.345 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.007 0.548 -0.584 1.00 0.00 H new ATOM 493 N TYR A 48 -7.673 2.533 -2.797 1.00 0.00 N ATOM 494 CA TYR A 48 -9.082 2.850 -2.955 1.00 0.00 C ATOM 495 C TYR A 48 -9.934 1.598 -2.811 1.00 0.00 C ATOM 496 O TYR A 48 -9.481 0.492 -3.106 1.00 0.00 O ATOM 497 CB TYR A 48 -9.328 3.514 -4.317 1.00 0.00 C ATOM 498 CG TYR A 48 -8.884 2.688 -5.504 1.00 0.00 C ATOM 499 CD1 TYR A 48 -7.572 2.738 -5.958 1.00 0.00 C ATOM 500 CD2 TYR A 48 -9.779 1.866 -6.172 1.00 0.00 C ATOM 501 CE1 TYR A 48 -7.165 1.989 -7.044 1.00 0.00 C ATOM 502 CE2 TYR A 48 -9.381 1.113 -7.259 1.00 0.00 C ATOM 503 CZ TYR A 48 -8.071 1.178 -7.691 1.00 0.00 C ATOM 504 OH TYR A 48 -7.664 0.429 -8.774 1.00 0.00 O ATOM 0 H TYR A 48 -7.412 1.598 -3.109 1.00 0.00 H new ATOM 0 HA TYR A 48 -9.369 3.549 -2.169 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -10.392 3.728 -4.416 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -8.807 4.471 -4.340 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -6.859 3.373 -5.453 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -10.804 1.814 -5.837 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -6.141 2.039 -7.385 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -10.090 0.477 -7.768 1.00 0.00 H new ATOM 0 HH TYR A 48 -8.422 -0.090 -9.116 1.00 0.00 H new ATOM 514 N GLU A 49 -11.157 1.788 -2.348 1.00 0.00 N ATOM 515 CA GLU A 49 -12.098 0.694 -2.176 1.00 0.00 C ATOM 516 C GLU A 49 -13.020 0.624 -3.374 1.00 0.00 C ATOM 517 O GLU A 49 -13.376 1.655 -3.955 1.00 0.00 O ATOM 518 CB GLU A 49 -12.934 0.868 -0.904 1.00 0.00 C ATOM 519 CG GLU A 49 -13.828 2.097 -0.924 1.00 0.00 C ATOM 520 CD GLU A 49 -14.729 2.191 0.289 1.00 0.00 C ATOM 521 OE1 GLU A 49 -15.499 1.243 0.540 1.00 0.00 O ATOM 522 OE2 GLU A 49 -14.675 3.222 0.990 1.00 0.00 O ATOM 0 H GLU A 49 -11.525 2.701 -2.081 1.00 0.00 H new ATOM 0 HA GLU A 49 -11.526 -0.230 -2.086 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.553 -0.018 -0.762 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -12.265 0.930 -0.046 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -13.207 2.991 -0.979 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -14.441 2.079 -1.825 1.00 0.00 H new ATOM 529 N GLU A 50 -13.381 -0.579 -3.769 1.00 0.00 N ATOM 530 CA GLU A 50 -14.361 -0.742 -4.814 1.00 0.00 C ATOM 531 C GLU A 50 -15.491 -1.650 -4.368 1.00 0.00 C ATOM 532 O GLU A 50 -15.358 -2.872 -4.305 1.00 0.00 O ATOM 533 CB GLU A 50 -13.719 -1.245 -6.106 1.00 0.00 C ATOM 534 CG GLU A 50 -12.813 -2.449 -5.961 1.00 0.00 C ATOM 535 CD GLU A 50 -12.136 -2.775 -7.270 1.00 0.00 C ATOM 536 OE1 GLU A 50 -12.815 -2.739 -8.315 1.00 0.00 O ATOM 537 OE2 GLU A 50 -10.918 -3.032 -7.275 1.00 0.00 O ATOM 0 H GLU A 50 -13.013 -1.449 -3.384 1.00 0.00 H new ATOM 0 HA GLU A 50 -14.788 0.239 -5.023 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -14.512 -1.492 -6.812 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -13.143 -0.430 -6.546 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -12.061 -2.253 -5.197 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -13.394 -3.308 -5.624 1.00 0.00 H new ATOM 544 N LYS A 51 -16.598 -1.021 -4.023 1.00 0.00 N ATOM 545 CA LYS A 51 -17.818 -1.728 -3.709 1.00 0.00 C ATOM 546 C LYS A 51 -18.653 -1.798 -4.976 1.00 0.00 C ATOM 547 O LYS A 51 -18.862 -0.777 -5.623 1.00 0.00 O ATOM 548 CB LYS A 51 -18.589 -1.000 -2.602 1.00 0.00 C ATOM 549 CG LYS A 51 -17.783 -0.763 -1.330 1.00 0.00 C ATOM 550 CD LYS A 51 -17.425 -2.064 -0.631 1.00 0.00 C ATOM 551 CE LYS A 51 -16.750 -1.797 0.704 1.00 0.00 C ATOM 552 NZ LYS A 51 -16.361 -3.053 1.399 1.00 0.00 N ATOM 0 H LYS A 51 -16.674 -0.006 -3.953 1.00 0.00 H new ATOM 0 HA LYS A 51 -17.591 -2.731 -3.349 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -18.932 -0.039 -2.985 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -19.478 -1.579 -2.353 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -16.870 -0.220 -1.575 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -18.356 -0.132 -0.650 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -18.326 -2.657 -0.475 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -16.763 -2.652 -1.266 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -15.864 -1.183 0.544 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -17.424 -1.225 1.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -15.905 -2.822 2.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -17.209 -3.629 1.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -15.697 -3.588 0.803 1.00 0.00 H new ATOM 566 N PRO A 52 -19.109 -2.998 -5.362 1.00 0.00 N ATOM 567 CA PRO A 52 -19.849 -3.197 -6.615 1.00 0.00 C ATOM 568 C PRO A 52 -20.998 -2.206 -6.778 1.00 0.00 C ATOM 569 O PRO A 52 -21.936 -2.191 -5.980 1.00 0.00 O ATOM 570 CB PRO A 52 -20.383 -4.625 -6.486 1.00 0.00 C ATOM 571 CG PRO A 52 -19.421 -5.304 -5.573 1.00 0.00 C ATOM 572 CD PRO A 52 -18.947 -4.254 -4.609 1.00 0.00 C ATOM 0 HA PRO A 52 -19.219 -3.041 -7.490 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -21.393 -4.635 -6.076 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -20.427 -5.121 -7.456 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -19.900 -6.129 -5.046 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -18.585 -5.726 -6.132 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -19.539 -4.253 -3.694 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -17.909 -4.416 -4.317 1.00 0.00 H new ATOM 580 N GLY A 53 -20.911 -1.375 -7.807 1.00 0.00 N ATOM 581 CA GLY A 53 -21.932 -0.378 -8.047 1.00 0.00 C ATOM 582 C GLY A 53 -21.481 1.017 -7.654 1.00 0.00 C ATOM 583 O GLY A 53 -21.907 2.009 -8.247 1.00 0.00 O ATOM 0 H GLY A 53 -20.147 -1.375 -8.483 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -22.203 -0.386 -9.103 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -22.830 -0.638 -7.486 1.00 0.00 H new ATOM 587 N GLN A 54 -20.598 1.094 -6.671 1.00 0.00 N ATOM 588 CA GLN A 54 -20.129 2.372 -6.156 1.00 0.00 C ATOM 589 C GLN A 54 -18.806 2.760 -6.807 1.00 0.00 C ATOM 590 O GLN A 54 -18.045 1.898 -7.247 1.00 0.00 O ATOM 591 CB GLN A 54 -19.955 2.296 -4.636 1.00 0.00 C ATOM 592 CG GLN A 54 -21.220 1.905 -3.892 1.00 0.00 C ATOM 593 CD GLN A 54 -21.053 2.001 -2.390 1.00 0.00 C ATOM 594 OE1 GLN A 54 -20.302 2.835 -1.888 1.00 0.00 O ATOM 595 NE2 GLN A 54 -21.759 1.155 -1.659 1.00 0.00 N ATOM 0 H GLN A 54 -20.189 0.281 -6.211 1.00 0.00 H new ATOM 0 HA GLN A 54 -20.873 3.132 -6.395 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -19.171 1.574 -4.405 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -19.614 3.265 -4.270 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -22.039 2.552 -4.207 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -21.497 0.886 -4.161 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -22.372 0.477 -2.113 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -21.691 1.180 -0.642 1.00 0.00 H new ATOM 604 N PRO A 55 -18.523 4.068 -6.888 1.00 0.00 N ATOM 605 CA PRO A 55 -17.258 4.569 -7.428 1.00 0.00 C ATOM 606 C PRO A 55 -16.082 4.229 -6.519 1.00 0.00 C ATOM 607 O PRO A 55 -16.246 4.060 -5.309 1.00 0.00 O ATOM 608 CB PRO A 55 -17.464 6.079 -7.486 1.00 0.00 C ATOM 609 CG PRO A 55 -18.499 6.361 -6.454 1.00 0.00 C ATOM 610 CD PRO A 55 -19.409 5.166 -6.458 1.00 0.00 C ATOM 0 HA PRO A 55 -17.020 4.126 -8.395 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -16.538 6.613 -7.274 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -17.795 6.395 -8.475 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -18.046 6.505 -5.473 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -19.048 7.273 -6.689 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -19.832 4.979 -5.471 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -20.246 5.300 -7.143 1.00 0.00 H new ATOM 618 N LYS A 56 -14.902 4.128 -7.113 1.00 0.00 N ATOM 619 CA LYS A 56 -13.702 3.761 -6.373 1.00 0.00 C ATOM 620 C LYS A 56 -13.300 4.911 -5.456 1.00 0.00 C ATOM 621 O LYS A 56 -12.993 6.007 -5.925 1.00 0.00 O ATOM 622 CB LYS A 56 -12.551 3.412 -7.333 1.00 0.00 C ATOM 623 CG LYS A 56 -12.935 2.468 -8.466 1.00 0.00 C ATOM 624 CD LYS A 56 -13.814 1.351 -7.963 1.00 0.00 C ATOM 625 CE LYS A 56 -14.357 0.487 -9.094 1.00 0.00 C ATOM 626 NZ LYS A 56 -13.319 -0.404 -9.686 1.00 0.00 N ATOM 0 H LYS A 56 -14.749 4.295 -8.107 1.00 0.00 H new ATOM 0 HA LYS A 56 -13.915 2.877 -5.772 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -12.161 4.335 -7.763 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -11.741 2.960 -6.760 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -13.456 3.023 -9.246 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -12.035 2.052 -8.918 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -13.246 0.727 -7.273 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -14.646 1.773 -7.399 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -15.180 -0.121 -8.718 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -14.765 1.130 -9.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -13.527 -0.558 -10.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -12.384 0.041 -9.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -13.321 -1.318 -9.189 1.00 0.00 H new ATOM 640 N ARG A 57 -13.310 4.658 -4.155 1.00 0.00 N ATOM 641 CA ARG A 57 -13.108 5.709 -3.165 1.00 0.00 C ATOM 642 C ARG A 57 -11.718 5.606 -2.550 1.00 0.00 C ATOM 643 O ARG A 57 -11.340 4.550 -2.054 1.00 0.00 O ATOM 644 CB ARG A 57 -14.168 5.605 -2.059 1.00 0.00 C ATOM 645 CG ARG A 57 -14.131 6.762 -1.074 1.00 0.00 C ATOM 646 CD ARG A 57 -14.885 7.972 -1.600 1.00 0.00 C ATOM 647 NE ARG A 57 -16.321 7.886 -1.325 1.00 0.00 N ATOM 648 CZ ARG A 57 -17.274 8.264 -2.179 1.00 0.00 C ATOM 649 NH1 ARG A 57 -16.961 8.618 -3.420 1.00 0.00 N ATOM 650 NH2 ARG A 57 -18.546 8.261 -1.800 1.00 0.00 N ATOM 0 H ARG A 57 -13.456 3.730 -3.758 1.00 0.00 H new ATOM 0 HA ARG A 57 -13.202 6.673 -3.666 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -15.156 5.559 -2.517 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -14.025 4.671 -1.516 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -14.566 6.446 -0.125 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -13.095 7.037 -0.874 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -14.482 8.876 -1.144 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -14.726 8.059 -2.675 1.00 0.00 H new ATOM 0 HE ARG A 57 -16.612 7.513 -0.421 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -15.988 8.602 -3.725 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -17.694 8.906 -4.068 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -18.796 7.970 -0.855 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -19.274 8.550 -2.454 1.00 0.00 H new ATOM 664 N LEU A 58 -10.960 6.701 -2.600 1.00 0.00 N ATOM 665 CA LEU A 58 -9.641 6.757 -1.975 1.00 0.00 C ATOM 666 C LEU A 58 -9.733 6.436 -0.489 1.00 0.00 C ATOM 667 O LEU A 58 -10.439 7.110 0.260 1.00 0.00 O ATOM 668 CB LEU A 58 -9.017 8.141 -2.172 1.00 0.00 C ATOM 669 CG LEU A 58 -8.036 8.255 -3.339 1.00 0.00 C ATOM 670 CD1 LEU A 58 -7.866 9.711 -3.740 1.00 0.00 C ATOM 671 CD2 LEU A 58 -6.688 7.659 -2.949 1.00 0.00 C ATOM 0 H LEU A 58 -11.239 7.563 -3.069 1.00 0.00 H new ATOM 0 HA LEU A 58 -9.007 6.010 -2.453 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -9.818 8.865 -2.320 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -8.499 8.422 -1.255 1.00 0.00 H new ATOM 0 HG LEU A 58 -8.435 7.701 -4.189 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -7.165 9.780 -4.572 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -8.830 10.120 -4.043 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -7.481 10.279 -2.893 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.996 7.745 -3.787 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -6.287 8.197 -2.090 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.816 6.608 -2.691 1.00 0.00 H new ATOM 683 N VAL A 59 -9.026 5.397 -0.075 1.00 0.00 N ATOM 684 CA VAL A 59 -9.046 4.965 1.313 1.00 0.00 C ATOM 685 C VAL A 59 -7.734 5.301 2.007 1.00 0.00 C ATOM 686 O VAL A 59 -7.661 5.299 3.236 1.00 0.00 O ATOM 687 CB VAL A 59 -9.316 3.449 1.439 1.00 0.00 C ATOM 688 CG1 VAL A 59 -10.626 3.083 0.762 1.00 0.00 C ATOM 689 CG2 VAL A 59 -8.166 2.636 0.858 1.00 0.00 C ATOM 0 H VAL A 59 -8.429 4.836 -0.683 1.00 0.00 H new ATOM 0 HA VAL A 59 -9.861 5.503 1.798 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.395 3.208 2.499 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -10.800 2.011 0.861 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -11.444 3.628 1.233 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -10.576 3.346 -0.294 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -8.384 1.573 0.961 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -8.044 2.881 -0.197 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -7.247 2.871 1.394 1.00 0.00 H new ATOM 699 N ALA A 60 -6.699 5.566 1.209 1.00 0.00 N ATOM 700 CA ALA A 60 -5.398 5.948 1.732 1.00 0.00 C ATOM 701 C ALA A 60 -4.453 6.373 0.624 1.00 0.00 C ATOM 702 O ALA A 60 -4.402 5.766 -0.445 1.00 0.00 O ATOM 703 CB ALA A 60 -4.775 4.803 2.503 1.00 0.00 C ATOM 0 H ALA A 60 -6.743 5.521 0.191 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.558 6.795 2.399 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.802 5.109 2.886 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.423 4.530 3.336 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.651 3.945 1.843 1.00 0.00 H new ATOM 709 N ILE A 61 -3.713 7.428 0.885 1.00 0.00 N ATOM 710 CA ILE A 61 -2.601 7.808 0.036 1.00 0.00 C ATOM 711 C ILE A 61 -1.320 7.505 0.791 1.00 0.00 C ATOM 712 O ILE A 61 -1.027 8.140 1.807 1.00 0.00 O ATOM 713 CB ILE A 61 -2.615 9.305 -0.354 1.00 0.00 C ATOM 714 CG1 ILE A 61 -3.923 9.691 -1.058 1.00 0.00 C ATOM 715 CG2 ILE A 61 -1.422 9.616 -1.246 1.00 0.00 C ATOM 716 CD1 ILE A 61 -5.059 10.006 -0.109 1.00 0.00 C ATOM 0 H ILE A 61 -3.862 8.044 1.685 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.677 7.243 -0.893 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.547 9.895 0.560 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.741 10.559 -1.692 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -4.226 8.875 -1.714 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.436 10.671 -1.518 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.499 9.392 -0.711 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.475 9.008 -2.149 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -5.949 10.270 -0.681 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.270 9.133 0.508 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.778 10.843 0.530 1.00 0.00 H new ATOM 728 N CYS A 62 -0.555 6.539 0.321 1.00 0.00 N ATOM 729 CA CYS A 62 0.546 6.034 1.119 1.00 0.00 C ATOM 730 C CYS A 62 1.840 5.971 0.326 1.00 0.00 C ATOM 731 O CYS A 62 1.834 5.807 -0.891 1.00 0.00 O ATOM 732 CB CYS A 62 0.201 4.650 1.672 1.00 0.00 C ATOM 733 SG CYS A 62 1.264 4.132 3.050 1.00 0.00 S ATOM 0 H CYS A 62 -0.671 6.095 -0.590 1.00 0.00 H new ATOM 0 HA CYS A 62 0.700 6.729 1.945 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -0.837 4.649 2.005 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.279 3.917 0.869 1.00 0.00 H new ATOM 738 N LYS A 63 2.946 6.115 1.034 1.00 0.00 N ATOM 739 CA LYS A 63 4.266 5.999 0.448 1.00 0.00 C ATOM 740 C LYS A 63 5.225 5.509 1.521 1.00 0.00 C ATOM 741 O LYS A 63 4.909 5.564 2.707 1.00 0.00 O ATOM 742 CB LYS A 63 4.734 7.344 -0.124 1.00 0.00 C ATOM 743 CG LYS A 63 5.122 8.372 0.928 1.00 0.00 C ATOM 744 CD LYS A 63 5.508 9.700 0.292 1.00 0.00 C ATOM 745 CE LYS A 63 4.288 10.540 -0.063 1.00 0.00 C ATOM 746 NZ LYS A 63 3.489 10.906 1.140 1.00 0.00 N ATOM 0 H LYS A 63 2.952 6.316 2.034 1.00 0.00 H new ATOM 0 HA LYS A 63 4.238 5.289 -0.378 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.589 7.170 -0.777 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.939 7.758 -0.744 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.289 8.524 1.615 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.957 7.993 1.518 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.145 10.258 0.978 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.094 9.514 -0.608 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.610 11.448 -0.574 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.659 9.988 -0.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.927 11.758 0.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.852 10.121 1.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 4.129 11.095 1.938 1.00 0.00 H new ATOM 760 N ASN A 64 6.375 5.012 1.113 1.00 0.00 N ATOM 761 CA ASN A 64 7.350 4.492 2.063 1.00 0.00 C ATOM 762 C ASN A 64 8.154 5.636 2.659 1.00 0.00 C ATOM 763 O ASN A 64 8.424 6.612 1.964 1.00 0.00 O ATOM 764 CB ASN A 64 8.275 3.478 1.384 1.00 0.00 C ATOM 765 CG ASN A 64 9.336 2.927 2.320 1.00 0.00 C ATOM 766 OD1 ASN A 64 9.097 1.968 3.043 1.00 0.00 O ATOM 767 ND2 ASN A 64 10.522 3.514 2.295 1.00 0.00 N ATOM 0 H ASN A 64 6.661 4.955 0.136 1.00 0.00 H new ATOM 0 HA ASN A 64 6.820 3.981 2.867 1.00 0.00 H new ATOM 0 HB2 ASN A 64 7.678 2.654 0.994 1.00 0.00 H new ATOM 0 HB3 ASN A 64 8.761 3.951 0.531 1.00 0.00 H new ATOM 0 HD21 ASN A 64 11.274 3.169 2.891 1.00 0.00 H new ATOM 0 HD22 ASN A 64 10.684 4.311 1.679 1.00 0.00 H new ATOM 774 N ALA A 65 8.514 5.514 3.940 1.00 0.00 N ATOM 775 CA ALA A 65 9.201 6.585 4.668 1.00 0.00 C ATOM 776 C ALA A 65 10.353 7.176 3.859 1.00 0.00 C ATOM 777 O ALA A 65 10.390 8.380 3.597 1.00 0.00 O ATOM 778 CB ALA A 65 9.712 6.064 6.004 1.00 0.00 C ATOM 0 H ALA A 65 8.339 4.678 4.498 1.00 0.00 H new ATOM 0 HA ALA A 65 8.478 7.382 4.841 1.00 0.00 H new ATOM 0 HB1 ALA A 65 10.221 6.867 6.537 1.00 0.00 H new ATOM 0 HB2 ALA A 65 8.872 5.707 6.601 1.00 0.00 H new ATOM 0 HB3 ALA A 65 10.409 5.244 5.832 1.00 0.00 H new ATOM 784 N SER A 66 11.285 6.323 3.462 1.00 0.00 N ATOM 785 CA SER A 66 12.423 6.756 2.671 1.00 0.00 C ATOM 786 C SER A 66 12.171 6.504 1.183 1.00 0.00 C ATOM 787 O SER A 66 11.561 5.504 0.809 1.00 0.00 O ATOM 788 CB SER A 66 13.676 6.010 3.123 1.00 0.00 C ATOM 789 OG SER A 66 13.838 6.100 4.530 1.00 0.00 O ATOM 0 H SER A 66 11.274 5.326 3.676 1.00 0.00 H new ATOM 0 HA SER A 66 12.567 7.826 2.819 1.00 0.00 H new ATOM 0 HB2 SER A 66 13.608 4.963 2.827 1.00 0.00 H new ATOM 0 HB3 SER A 66 14.552 6.426 2.625 1.00 0.00 H new ATOM 0 HG SER A 66 14.646 5.614 4.798 1.00 0.00 H new ATOM 795 N PRO A 67 12.635 7.416 0.315 1.00 0.00 N ATOM 796 CA PRO A 67 12.519 7.274 -1.135 1.00 0.00 C ATOM 797 C PRO A 67 13.641 6.421 -1.727 1.00 0.00 C ATOM 798 O PRO A 67 13.962 6.530 -2.913 1.00 0.00 O ATOM 799 CB PRO A 67 12.616 8.722 -1.653 1.00 0.00 C ATOM 800 CG PRO A 67 12.838 9.588 -0.447 1.00 0.00 C ATOM 801 CD PRO A 67 13.281 8.680 0.665 1.00 0.00 C ATOM 0 HA PRO A 67 11.595 6.769 -1.418 1.00 0.00 H new ATOM 0 HB2 PRO A 67 13.436 8.827 -2.363 1.00 0.00 H new ATOM 0 HB3 PRO A 67 11.704 9.010 -2.176 1.00 0.00 H new ATOM 0 HG2 PRO A 67 13.593 10.347 -0.650 1.00 0.00 H new ATOM 0 HG3 PRO A 67 11.923 10.114 -0.175 1.00 0.00 H new ATOM 0 HD2 PRO A 67 14.366 8.585 0.704 1.00 0.00 H new ATOM 0 HD3 PRO A 67 12.958 9.045 1.640 1.00 0.00 H new ATOM 809 N VAL A 68 14.246 5.589 -0.890 1.00 0.00 N ATOM 810 CA VAL A 68 15.328 4.713 -1.318 1.00 0.00 C ATOM 811 C VAL A 68 15.128 3.320 -0.739 1.00 0.00 C ATOM 812 O VAL A 68 14.683 2.406 -1.429 1.00 0.00 O ATOM 813 CB VAL A 68 16.715 5.233 -0.881 1.00 0.00 C ATOM 814 CG1 VAL A 68 17.808 4.451 -1.588 1.00 0.00 C ATOM 815 CG2 VAL A 68 16.857 6.725 -1.154 1.00 0.00 C ATOM 0 H VAL A 68 14.003 5.502 0.097 1.00 0.00 H new ATOM 0 HA VAL A 68 15.301 4.687 -2.407 1.00 0.00 H new ATOM 0 HB VAL A 68 16.814 5.085 0.194 1.00 0.00 H new ATOM 0 HG11 VAL A 68 18.783 4.824 -1.274 1.00 0.00 H new ATOM 0 HG12 VAL A 68 17.724 3.395 -1.332 1.00 0.00 H new ATOM 0 HG13 VAL A 68 17.703 4.572 -2.666 1.00 0.00 H new ATOM 0 HG21 VAL A 68 17.844 7.061 -0.836 1.00 0.00 H new ATOM 0 HG22 VAL A 68 16.737 6.913 -2.221 1.00 0.00 H new ATOM 0 HG23 VAL A 68 16.092 7.270 -0.601 1.00 0.00 H new ATOM 825 N HIS A 69 15.437 3.172 0.544 1.00 0.00 N ATOM 826 CA HIS A 69 15.269 1.893 1.221 1.00 0.00 C ATOM 827 C HIS A 69 13.813 1.734 1.628 1.00 0.00 C ATOM 828 O HIS A 69 13.090 2.723 1.736 1.00 0.00 O ATOM 829 CB HIS A 69 16.139 1.795 2.482 1.00 0.00 C ATOM 830 CG HIS A 69 17.571 2.204 2.294 1.00 0.00 C ATOM 831 ND1 HIS A 69 18.586 1.310 2.039 1.00 0.00 N ATOM 832 CD2 HIS A 69 18.156 3.423 2.359 1.00 0.00 C ATOM 833 CE1 HIS A 69 19.731 1.962 1.950 1.00 0.00 C ATOM 834 NE2 HIS A 69 19.499 3.247 2.143 1.00 0.00 N ATOM 0 H HIS A 69 15.804 3.919 1.134 1.00 0.00 H new ATOM 0 HA HIS A 69 15.574 1.108 0.530 1.00 0.00 H new ATOM 0 HB2 HIS A 69 15.697 2.418 3.260 1.00 0.00 H new ATOM 0 HB3 HIS A 69 16.114 0.767 2.844 1.00 0.00 H new ATOM 0 HD2 HIS A 69 17.657 4.362 2.547 1.00 0.00 H new ATOM 0 HE1 HIS A 69 20.696 1.518 1.752 1.00 0.00 H new ATOM 0 HE2 HIS A 69 20.202 3.986 2.133 1.00 0.00 H new ATOM 843 N CYS A 70 13.393 0.505 1.867 1.00 0.00 N ATOM 844 CA CYS A 70 12.026 0.247 2.282 1.00 0.00 C ATOM 845 C CYS A 70 11.966 0.071 3.795 1.00 0.00 C ATOM 846 O CYS A 70 12.634 -0.797 4.360 1.00 0.00 O ATOM 847 CB CYS A 70 11.464 -0.989 1.577 1.00 0.00 C ATOM 848 SG CYS A 70 9.682 -1.211 1.790 1.00 0.00 S ATOM 0 H CYS A 70 13.976 -0.327 1.781 1.00 0.00 H new ATOM 0 HA CYS A 70 11.412 1.102 2.000 1.00 0.00 H new ATOM 0 HB2 CYS A 70 11.686 -0.920 0.512 1.00 0.00 H new ATOM 0 HB3 CYS A 70 11.977 -1.874 1.953 1.00 0.00 H new ATOM 0 HG CYS A 70 9.164 -0.121 2.274 1.00 0.00 H new ATOM 854 N ASN A 71 11.160 0.901 4.438 1.00 0.00 N ATOM 855 CA ASN A 71 11.063 0.926 5.889 1.00 0.00 C ATOM 856 C ASN A 71 9.693 0.425 6.317 1.00 0.00 C ATOM 857 O ASN A 71 9.510 -0.747 6.642 1.00 0.00 O ATOM 858 CB ASN A 71 11.250 2.356 6.416 1.00 0.00 C ATOM 859 CG ASN A 71 12.592 2.981 6.071 1.00 0.00 C ATOM 860 OD1 ASN A 71 13.247 2.614 5.096 1.00 0.00 O ATOM 861 ND2 ASN A 71 12.985 3.969 6.851 1.00 0.00 N ATOM 0 H ASN A 71 10.555 1.576 3.969 1.00 0.00 H new ATOM 0 HA ASN A 71 11.844 0.285 6.298 1.00 0.00 H new ATOM 0 HB2 ASN A 71 10.456 2.985 6.014 1.00 0.00 H new ATOM 0 HB3 ASN A 71 11.134 2.349 7.500 1.00 0.00 H new ATOM 0 HD21 ASN A 71 13.859 4.457 6.655 1.00 0.00 H new ATOM 0 HD22 ASN A 71 12.415 4.245 7.651 1.00 0.00 H new ATOM 868 N TYR A 72 8.739 1.347 6.292 1.00 0.00 N ATOM 869 CA TYR A 72 7.342 1.068 6.580 1.00 0.00 C ATOM 870 C TYR A 72 6.495 1.973 5.699 1.00 0.00 C ATOM 871 O TYR A 72 7.034 2.789 4.945 1.00 0.00 O ATOM 872 CB TYR A 72 7.008 1.326 8.057 1.00 0.00 C ATOM 873 CG TYR A 72 7.702 0.394 9.030 1.00 0.00 C ATOM 874 CD1 TYR A 72 7.307 -0.934 9.151 1.00 0.00 C ATOM 875 CD2 TYR A 72 8.749 0.842 9.826 1.00 0.00 C ATOM 876 CE1 TYR A 72 7.936 -1.787 10.038 1.00 0.00 C ATOM 877 CE2 TYR A 72 9.382 -0.007 10.716 1.00 0.00 C ATOM 878 CZ TYR A 72 8.971 -1.319 10.818 1.00 0.00 C ATOM 879 OH TYR A 72 9.599 -2.168 11.705 1.00 0.00 O ATOM 0 H TYR A 72 8.920 2.325 6.067 1.00 0.00 H new ATOM 0 HA TYR A 72 7.136 0.017 6.377 1.00 0.00 H new ATOM 0 HB2 TYR A 72 7.277 2.353 8.303 1.00 0.00 H new ATOM 0 HB3 TYR A 72 5.930 1.237 8.194 1.00 0.00 H new ATOM 0 HD1 TYR A 72 6.496 -1.305 8.542 1.00 0.00 H new ATOM 0 HD2 TYR A 72 9.074 1.869 9.749 1.00 0.00 H new ATOM 0 HE1 TYR A 72 7.618 -2.816 10.119 1.00 0.00 H new ATOM 0 HE2 TYR A 72 10.194 0.356 11.328 1.00 0.00 H new ATOM 0 HH TYR A 72 10.307 -1.682 12.177 1.00 0.00 H new ATOM 889 N LEU A 73 5.185 1.869 5.814 1.00 0.00 N ATOM 890 CA LEU A 73 4.298 2.650 4.971 1.00 0.00 C ATOM 891 C LEU A 73 3.738 3.842 5.724 1.00 0.00 C ATOM 892 O LEU A 73 3.111 3.693 6.775 1.00 0.00 O ATOM 893 CB LEU A 73 3.149 1.792 4.434 1.00 0.00 C ATOM 894 CG LEU A 73 3.532 0.761 3.372 1.00 0.00 C ATOM 895 CD1 LEU A 73 2.281 0.214 2.698 1.00 0.00 C ATOM 896 CD2 LEU A 73 4.480 1.371 2.349 1.00 0.00 C ATOM 0 H LEU A 73 4.713 1.256 6.478 1.00 0.00 H new ATOM 0 HA LEU A 73 4.888 3.012 4.129 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.688 1.269 5.272 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.391 2.454 4.015 1.00 0.00 H new ATOM 0 HG LEU A 73 4.051 -0.066 3.857 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.565 -0.519 1.943 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.644 -0.261 3.444 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.737 1.031 2.223 1.00 0.00 H new ATOM 0 HD21 LEU A 73 4.741 0.621 1.602 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.994 2.216 1.861 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.385 1.713 2.851 1.00 0.00 H new ATOM 908 N LYS A 74 3.994 5.024 5.186 1.00 0.00 N ATOM 909 CA LYS A 74 3.465 6.261 5.733 1.00 0.00 C ATOM 910 C LYS A 74 2.262 6.694 4.907 1.00 0.00 C ATOM 911 O LYS A 74 2.412 7.182 3.782 1.00 0.00 O ATOM 912 CB LYS A 74 4.543 7.348 5.698 1.00 0.00 C ATOM 913 CG LYS A 74 4.863 7.947 7.057 1.00 0.00 C ATOM 914 CD LYS A 74 5.271 6.880 8.059 1.00 0.00 C ATOM 915 CE LYS A 74 5.795 7.501 9.340 1.00 0.00 C ATOM 916 NZ LYS A 74 6.012 6.489 10.408 1.00 0.00 N ATOM 0 H LYS A 74 4.575 5.152 4.357 1.00 0.00 H new ATOM 0 HA LYS A 74 3.160 6.104 6.768 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.455 6.927 5.274 1.00 0.00 H new ATOM 0 HB3 LYS A 74 4.219 8.145 5.029 1.00 0.00 H new ATOM 0 HG2 LYS A 74 5.667 8.676 6.953 1.00 0.00 H new ATOM 0 HG3 LYS A 74 3.992 8.485 7.432 1.00 0.00 H new ATOM 0 HD2 LYS A 74 4.416 6.243 8.284 1.00 0.00 H new ATOM 0 HD3 LYS A 74 6.038 6.241 7.621 1.00 0.00 H new ATOM 0 HE2 LYS A 74 6.733 8.016 9.134 1.00 0.00 H new ATOM 0 HE3 LYS A 74 5.089 8.253 9.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 6.370 6.959 11.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 5.112 6.014 10.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 6.706 5.785 10.084 1.00 0.00 H new ATOM 930 N CYS A 75 1.072 6.509 5.448 1.00 0.00 N ATOM 931 CA CYS A 75 -0.140 6.767 4.692 1.00 0.00 C ATOM 932 C CYS A 75 -0.943 7.894 5.322 1.00 0.00 C ATOM 933 O CYS A 75 -0.906 8.089 6.537 1.00 0.00 O ATOM 934 CB CYS A 75 -0.988 5.496 4.622 1.00 0.00 C ATOM 935 SG CYS A 75 -0.012 3.952 4.620 1.00 0.00 S ATOM 0 H CYS A 75 0.919 6.183 6.402 1.00 0.00 H new ATOM 0 HA CYS A 75 0.141 7.070 3.683 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -1.672 5.480 5.471 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -1.600 5.529 3.720 1.00 0.00 H new ATOM 940 N THR A 76 -1.658 8.636 4.495 1.00 0.00 N ATOM 941 CA THR A 76 -2.495 9.716 4.977 1.00 0.00 C ATOM 942 C THR A 76 -3.910 9.564 4.421 1.00 0.00 C ATOM 943 O THR A 76 -4.108 8.911 3.390 1.00 0.00 O ATOM 944 CB THR A 76 -1.911 11.098 4.593 1.00 0.00 C ATOM 945 OG1 THR A 76 -2.616 12.142 5.277 1.00 0.00 O ATOM 946 CG2 THR A 76 -1.984 11.336 3.090 1.00 0.00 C ATOM 0 H THR A 76 -1.674 8.508 3.483 1.00 0.00 H new ATOM 0 HA THR A 76 -2.528 9.661 6.065 1.00 0.00 H new ATOM 0 HB THR A 76 -0.863 11.107 4.892 1.00 0.00 H new ATOM 0 HG1 THR A 76 -2.237 13.011 5.028 1.00 0.00 H new ATOM 0 HG21 THR A 76 -1.566 12.315 2.856 1.00 0.00 H new ATOM 0 HG22 THR A 76 -1.415 10.565 2.571 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.024 11.299 2.766 1.00 0.00 H new ATOM 954 N ASN A 77 -4.879 10.150 5.124 1.00 0.00 N ATOM 955 CA ASN A 77 -6.295 10.076 4.752 1.00 0.00 C ATOM 956 C ASN A 77 -6.784 8.637 4.821 1.00 0.00 C ATOM 957 O ASN A 77 -7.223 8.061 3.826 1.00 0.00 O ATOM 958 CB ASN A 77 -6.538 10.656 3.356 1.00 0.00 C ATOM 959 CG ASN A 77 -8.017 10.858 3.059 1.00 0.00 C ATOM 960 OD1 ASN A 77 -8.815 11.132 3.956 1.00 0.00 O ATOM 961 ND2 ASN A 77 -8.393 10.728 1.796 1.00 0.00 N ATOM 0 H ASN A 77 -4.705 10.692 5.971 1.00 0.00 H new ATOM 0 HA ASN A 77 -6.860 10.677 5.465 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -6.019 11.610 3.267 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -6.108 9.989 2.609 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -9.372 10.856 1.540 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -7.704 10.500 1.080 1.00 0.00 H new ATOM 968 N LEU A 78 -6.676 8.059 6.006 1.00 0.00 N ATOM 969 CA LEU A 78 -7.111 6.686 6.241 1.00 0.00 C ATOM 970 C LEU A 78 -8.625 6.625 6.380 1.00 0.00 C ATOM 971 O LEU A 78 -9.222 7.404 7.125 1.00 0.00 O ATOM 972 CB LEU A 78 -6.445 6.122 7.498 1.00 0.00 C ATOM 973 CG LEU A 78 -4.919 6.059 7.447 1.00 0.00 C ATOM 974 CD1 LEU A 78 -4.360 5.556 8.768 1.00 0.00 C ATOM 975 CD2 LEU A 78 -4.457 5.166 6.305 1.00 0.00 C ATOM 0 H LEU A 78 -6.288 8.521 6.828 1.00 0.00 H new ATOM 0 HA LEU A 78 -6.813 6.080 5.385 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.740 6.732 8.352 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.829 5.118 7.675 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.543 7.067 7.272 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.272 5.518 8.712 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -4.659 6.231 9.570 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -4.748 4.558 8.971 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.368 5.134 6.286 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -4.847 4.159 6.450 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.825 5.565 5.360 1.00 0.00 H new ATOM 987 N ALA A 79 -9.246 5.696 5.668 1.00 0.00 N ATOM 988 CA ALA A 79 -10.697 5.583 5.674 1.00 0.00 C ATOM 989 C ALA A 79 -11.181 4.640 6.772 1.00 0.00 C ATOM 990 O ALA A 79 -11.707 3.563 6.492 1.00 0.00 O ATOM 991 CB ALA A 79 -11.205 5.133 4.311 1.00 0.00 C ATOM 0 H ALA A 79 -8.770 5.012 5.081 1.00 0.00 H new ATOM 0 HA ALA A 79 -11.106 6.571 5.887 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -12.292 5.054 4.336 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -10.911 5.861 3.555 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.776 4.161 4.066 1.00 0.00 H new ATOM 997 N ALA A 80 -10.974 5.061 8.017 1.00 0.00 N ATOM 998 CA ALA A 80 -11.439 4.335 9.202 1.00 0.00 C ATOM 999 C ALA A 80 -10.860 2.922 9.275 1.00 0.00 C ATOM 1000 O ALA A 80 -9.782 2.714 9.836 1.00 0.00 O ATOM 1001 CB ALA A 80 -12.965 4.303 9.258 1.00 0.00 C ATOM 0 H ALA A 80 -10.475 5.923 8.237 1.00 0.00 H new ATOM 0 HA ALA A 80 -11.074 4.877 10.074 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -13.285 3.759 10.146 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -13.349 5.322 9.299 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -13.351 3.805 8.369 1.00 0.00 H new ATOM 1007 N GLY A 81 -11.566 1.959 8.693 1.00 0.00 N ATOM 1008 CA GLY A 81 -11.114 0.583 8.724 1.00 0.00 C ATOM 1009 C GLY A 81 -10.088 0.296 7.647 1.00 0.00 C ATOM 1010 O GLY A 81 -9.470 -0.770 7.640 1.00 0.00 O ATOM 0 H GLY A 81 -12.446 2.109 8.199 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -10.684 0.365 9.701 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -11.968 -0.082 8.597 1.00 0.00 H new ATOM 1014 N PHE A 82 -9.915 1.241 6.731 1.00 0.00 N ATOM 1015 CA PHE A 82 -8.940 1.104 5.661 1.00 0.00 C ATOM 1016 C PHE A 82 -7.641 1.807 6.024 1.00 0.00 C ATOM 1017 O PHE A 82 -7.599 3.033 6.168 1.00 0.00 O ATOM 1018 CB PHE A 82 -9.477 1.687 4.354 1.00 0.00 C ATOM 1019 CG PHE A 82 -10.664 0.964 3.787 1.00 0.00 C ATOM 1020 CD1 PHE A 82 -10.491 -0.142 2.972 1.00 0.00 C ATOM 1021 CD2 PHE A 82 -11.950 1.402 4.054 1.00 0.00 C ATOM 1022 CE1 PHE A 82 -11.579 -0.800 2.436 1.00 0.00 C ATOM 1023 CE2 PHE A 82 -13.043 0.747 3.521 1.00 0.00 C ATOM 1024 CZ PHE A 82 -12.859 -0.355 2.711 1.00 0.00 C ATOM 0 H PHE A 82 -10.441 2.114 6.710 1.00 0.00 H new ATOM 0 HA PHE A 82 -8.750 0.039 5.525 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -9.749 2.729 4.521 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -8.677 1.681 3.613 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -9.493 -0.494 2.753 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -12.100 2.265 4.686 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -11.431 -1.662 1.802 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -14.041 1.097 3.738 1.00 0.00 H new ATOM 0 HZ PHE A 82 -13.712 -0.868 2.293 1.00 0.00 H new ATOM 1034 N SER A 83 -6.593 1.025 6.187 1.00 0.00 N ATOM 1035 CA SER A 83 -5.261 1.546 6.433 1.00 0.00 C ATOM 1036 C SER A 83 -4.265 0.646 5.721 1.00 0.00 C ATOM 1037 O SER A 83 -4.647 -0.384 5.184 1.00 0.00 O ATOM 1038 CB SER A 83 -4.982 1.586 7.935 1.00 0.00 C ATOM 1039 OG SER A 83 -5.964 2.357 8.608 1.00 0.00 O ATOM 0 H SER A 83 -6.640 0.007 6.153 1.00 0.00 H new ATOM 0 HA SER A 83 -5.173 2.564 6.054 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.972 0.572 8.335 1.00 0.00 H new ATOM 0 HB3 SER A 83 -3.994 2.010 8.115 1.00 0.00 H new ATOM 0 HG SER A 83 -5.769 2.369 9.568 1.00 0.00 H new ATOM 1045 N ALA A 84 -3.006 1.016 5.692 1.00 0.00 N ATOM 1046 CA ALA A 84 -2.022 0.187 5.020 1.00 0.00 C ATOM 1047 C ALA A 84 -1.141 -0.517 6.036 1.00 0.00 C ATOM 1048 O ALA A 84 -1.092 -0.127 7.205 1.00 0.00 O ATOM 1049 CB ALA A 84 -1.189 1.011 4.056 1.00 0.00 C ATOM 0 H ALA A 84 -2.639 1.868 6.116 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.549 -0.571 4.441 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -0.459 0.368 3.565 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.839 1.461 3.306 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -0.670 1.797 4.604 1.00 0.00 H new ATOM 1055 N GLY A 85 -0.456 -1.554 5.586 1.00 0.00 N ATOM 1056 CA GLY A 85 0.356 -2.349 6.481 1.00 0.00 C ATOM 1057 C GLY A 85 1.823 -2.281 6.126 1.00 0.00 C ATOM 1058 O GLY A 85 2.389 -1.195 6.000 1.00 0.00 O ATOM 0 H GLY A 85 -0.447 -1.861 4.613 1.00 0.00 H new ATOM 0 HA2 GLY A 85 0.214 -2.001 7.504 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.023 -3.386 6.448 1.00 0.00 H new ATOM 1062 N THR A 86 2.435 -3.437 5.961 1.00 0.00 N ATOM 1063 CA THR A 86 3.838 -3.515 5.592 1.00 0.00 C ATOM 1064 C THR A 86 3.964 -3.896 4.113 1.00 0.00 C ATOM 1065 O THR A 86 2.958 -4.008 3.407 1.00 0.00 O ATOM 1066 CB THR A 86 4.579 -4.543 6.484 1.00 0.00 C ATOM 1067 OG1 THR A 86 5.990 -4.509 6.231 1.00 0.00 O ATOM 1068 CG2 THR A 86 4.051 -5.953 6.248 1.00 0.00 C ATOM 0 H THR A 86 1.980 -4.343 6.077 1.00 0.00 H new ATOM 0 HA THR A 86 4.299 -2.539 5.746 1.00 0.00 H new ATOM 0 HB THR A 86 4.396 -4.270 7.523 1.00 0.00 H new ATOM 0 HG1 THR A 86 6.237 -5.260 5.651 1.00 0.00 H new ATOM 0 HG21 THR A 86 4.588 -6.654 6.886 1.00 0.00 H new ATOM 0 HG22 THR A 86 2.988 -5.988 6.485 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.199 -6.227 5.203 1.00 0.00 H new ATOM 1076 N SER A 87 5.182 -4.080 3.640 1.00 0.00 N ATOM 1077 CA SER A 87 5.407 -4.502 2.270 1.00 0.00 C ATOM 1078 C SER A 87 6.408 -5.648 2.233 1.00 0.00 C ATOM 1079 O SER A 87 7.367 -5.667 3.001 1.00 0.00 O ATOM 1080 CB SER A 87 5.891 -3.314 1.438 1.00 0.00 C ATOM 1081 OG SER A 87 6.828 -2.534 2.161 1.00 0.00 O ATOM 0 H SER A 87 6.033 -3.944 4.186 1.00 0.00 H new ATOM 0 HA SER A 87 4.472 -4.862 1.841 1.00 0.00 H new ATOM 0 HB2 SER A 87 6.347 -3.674 0.516 1.00 0.00 H new ATOM 0 HB3 SER A 87 5.040 -2.695 1.153 1.00 0.00 H new ATOM 0 HG SER A 87 7.612 -2.361 1.599 1.00 0.00 H new ATOM 1087 N THR A 88 6.176 -6.608 1.346 1.00 0.00 N ATOM 1088 CA THR A 88 6.975 -7.825 1.306 1.00 0.00 C ATOM 1089 C THR A 88 7.218 -8.302 -0.124 1.00 0.00 C ATOM 1090 O THR A 88 7.191 -7.511 -1.070 1.00 0.00 O ATOM 1091 CB THR A 88 6.269 -8.944 2.091 1.00 0.00 C ATOM 1092 OG1 THR A 88 4.910 -9.066 1.648 1.00 0.00 O ATOM 1093 CG2 THR A 88 6.295 -8.669 3.586 1.00 0.00 C ATOM 0 H THR A 88 5.438 -6.566 0.643 1.00 0.00 H new ATOM 0 HA THR A 88 7.939 -7.593 1.759 1.00 0.00 H new ATOM 0 HB THR A 88 6.803 -9.876 1.905 1.00 0.00 H new ATOM 0 HG1 THR A 88 4.465 -9.781 2.150 1.00 0.00 H new ATOM 0 HG21 THR A 88 5.788 -9.477 4.113 1.00 0.00 H new ATOM 0 HG22 THR A 88 7.329 -8.605 3.926 1.00 0.00 H new ATOM 0 HG23 THR A 88 5.787 -7.727 3.792 1.00 0.00 H new ATOM 1101 N ASP A 89 7.512 -9.599 -0.237 1.00 0.00 N ATOM 1102 CA ASP A 89 7.555 -10.333 -1.507 1.00 0.00 C ATOM 1103 C ASP A 89 8.757 -9.966 -2.358 1.00 0.00 C ATOM 1104 O ASP A 89 9.591 -10.808 -2.645 1.00 0.00 O ATOM 1105 CB ASP A 89 6.272 -10.147 -2.309 1.00 0.00 C ATOM 1106 CG ASP A 89 6.197 -11.112 -3.471 1.00 0.00 C ATOM 1107 OD1 ASP A 89 5.948 -12.312 -3.226 1.00 0.00 O ATOM 1108 OD2 ASP A 89 6.393 -10.675 -4.623 1.00 0.00 O ATOM 0 H ASP A 89 7.732 -10.183 0.570 1.00 0.00 H new ATOM 0 HA ASP A 89 7.651 -11.385 -1.238 1.00 0.00 H new ATOM 0 HB2 ASP A 89 5.411 -10.294 -1.657 1.00 0.00 H new ATOM 0 HB3 ASP A 89 6.220 -9.124 -2.681 1.00 0.00 H new ATOM 1113 N VAL A 90 8.852 -8.723 -2.771 1.00 0.00 N ATOM 1114 CA VAL A 90 9.979 -8.301 -3.578 1.00 0.00 C ATOM 1115 C VAL A 90 11.174 -7.916 -2.711 1.00 0.00 C ATOM 1116 O VAL A 90 12.323 -8.098 -3.107 1.00 0.00 O ATOM 1117 CB VAL A 90 9.609 -7.144 -4.524 1.00 0.00 C ATOM 1118 CG1 VAL A 90 8.938 -7.691 -5.767 1.00 0.00 C ATOM 1119 CG2 VAL A 90 8.683 -6.159 -3.835 1.00 0.00 C ATOM 0 H VAL A 90 8.172 -7.991 -2.566 1.00 0.00 H new ATOM 0 HA VAL A 90 10.261 -9.157 -4.191 1.00 0.00 H new ATOM 0 HB VAL A 90 10.524 -6.622 -4.803 1.00 0.00 H new ATOM 0 HG11 VAL A 90 8.678 -6.868 -6.433 1.00 0.00 H new ATOM 0 HG12 VAL A 90 9.619 -8.371 -6.279 1.00 0.00 H new ATOM 0 HG13 VAL A 90 8.033 -8.229 -5.485 1.00 0.00 H new ATOM 0 HG21 VAL A 90 8.435 -5.350 -4.523 1.00 0.00 H new ATOM 0 HG22 VAL A 90 7.769 -6.670 -3.531 1.00 0.00 H new ATOM 0 HG23 VAL A 90 9.178 -5.748 -2.955 1.00 0.00 H new ATOM 1129 N LEU A 91 10.904 -7.390 -1.524 1.00 0.00 N ATOM 1130 CA LEU A 91 11.976 -7.013 -0.611 1.00 0.00 C ATOM 1131 C LEU A 91 12.367 -8.170 0.309 1.00 0.00 C ATOM 1132 O LEU A 91 13.537 -8.324 0.659 1.00 0.00 O ATOM 1133 CB LEU A 91 11.592 -5.767 0.197 1.00 0.00 C ATOM 1134 CG LEU A 91 10.327 -5.877 1.053 1.00 0.00 C ATOM 1135 CD1 LEU A 91 10.652 -6.379 2.450 1.00 0.00 C ATOM 1136 CD2 LEU A 91 9.630 -4.534 1.122 1.00 0.00 C ATOM 0 H LEU A 91 9.962 -7.216 -1.173 1.00 0.00 H new ATOM 0 HA LEU A 91 12.851 -6.770 -1.213 1.00 0.00 H new ATOM 0 HB2 LEU A 91 12.426 -5.512 0.851 1.00 0.00 H new ATOM 0 HB3 LEU A 91 11.465 -4.935 -0.496 1.00 0.00 H new ATOM 0 HG LEU A 91 9.659 -6.601 0.585 1.00 0.00 H new ATOM 0 HD11 LEU A 91 9.735 -6.447 3.035 1.00 0.00 H new ATOM 0 HD12 LEU A 91 11.114 -7.364 2.384 1.00 0.00 H new ATOM 0 HD13 LEU A 91 11.341 -5.687 2.934 1.00 0.00 H new ATOM 0 HD21 LEU A 91 8.731 -4.621 1.733 1.00 0.00 H new ATOM 0 HD22 LEU A 91 10.301 -3.798 1.566 1.00 0.00 H new ATOM 0 HD23 LEU A 91 9.356 -4.214 0.117 1.00 0.00 H new ATOM 1148 N SER A 92 11.389 -8.985 0.698 1.00 0.00 N ATOM 1149 CA SER A 92 11.653 -10.103 1.598 1.00 0.00 C ATOM 1150 C SER A 92 11.767 -11.419 0.832 1.00 0.00 C ATOM 1151 O SER A 92 12.227 -12.427 1.370 1.00 0.00 O ATOM 1152 CB SER A 92 10.566 -10.191 2.667 1.00 0.00 C ATOM 1153 OG SER A 92 9.272 -10.216 2.084 1.00 0.00 O ATOM 0 H SER A 92 10.416 -8.893 0.407 1.00 0.00 H new ATOM 0 HA SER A 92 12.610 -9.924 2.088 1.00 0.00 H new ATOM 0 HB2 SER A 92 10.715 -11.089 3.267 1.00 0.00 H new ATOM 0 HB3 SER A 92 10.647 -9.339 3.342 1.00 0.00 H new ATOM 0 HG SER A 92 8.665 -10.728 2.658 1.00 0.00 H new