USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=22 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 66 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 71 ASN : amide:sc= 0 X(o=0,f=0.18) USER MOD Set 2.1: A 24 ASN : amide:sc= -7.45! C(o=-9!,f=-9.5!) USER MOD Set 2.2: A 26 HIS : no HD1:sc= -2.13! K(o=-9!,f=-14) USER MOD Set 2.3: A 36 THR OG1 : rot 101:sc= -1.67! USER MOD Set 2.4: A 88 THR OG1 : rot 112:sc= 1.31 USER MOD Set 2.5: A 95 THR OG1 : rot 49:sc= 0.947 USER MOD Set 3.1: A 33 HIS : no HD1:sc= -0.197 K(o=-1.2,f=-2.6!) USER MOD Set 3.2: A 98 SER OG : rot 180:sc= -0.965 USER MOD Set 4.1: A 23 CYS SG : rot 120:sc= 0.85 USER MOD Set 4.2: A 25 HIS : no HE2:sc= 0.233 K(o=1.8,f=-0.63!) USER MOD Set 4.3: A 70 CYS SG : rot 141:sc= 1.38 USER MOD Set 4.4: A 87 SER OG : rot 179:sc= -0.612 USER MOD Single : A 19 SER OG : rot 31:sc= 0.16 USER MOD Single : A 22 GLN : amide:sc= -2.51! K(o=-2.5!,f=-1.6) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.214 K(o=-0.21,f=-3.3!) USER MOD Single : A 39 LYS NZ :NH3+ -137:sc=-0.000417 (180deg=-0.14) 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+ 137:sc= 1.14 (180deg=0.376) USER MOD Single : A 54 GLN : amide:sc= -0.435 X(o=-0.44,f=-0.04) USER MOD Single : A 56 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00963) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -9.67! C(o=-9.7!,f=-8.8!) USER MOD Single : A 69 HIS : no HD1:sc= -1.04 K(o=-1,f=-0.3) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 165:sc= -0.0901 (180deg=-0.445) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.067 K(o=-0.067,f=-1.6!) USER MOD Single : A 83 SER OG : rot 180:sc= -0.0697 USER MOD Single : A 86 THR OG1 : rot 42:sc= 0.205 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 19 20.393 0.241 -2.918 1.00 0.00 N ATOM 2 CA SER A 19 20.080 1.362 -2.007 1.00 0.00 C ATOM 3 C SER A 19 18.606 1.731 -2.112 1.00 0.00 C ATOM 4 O SER A 19 17.859 1.609 -1.140 1.00 0.00 O ATOM 5 CB SER A 19 20.950 2.568 -2.345 1.00 0.00 C ATOM 6 OG SER A 19 22.322 2.210 -2.370 1.00 0.00 O ATOM 0 HA SER A 19 20.289 1.052 -0.983 1.00 0.00 H new ATOM 0 HB2 SER A 19 20.658 2.972 -3.314 1.00 0.00 H new ATOM 0 HB3 SER A 19 20.789 3.356 -1.609 1.00 0.00 H new ATOM 0 HG SER A 19 22.411 1.275 -2.651 1.00 0.00 H new ATOM 14 N PHE A 20 18.190 2.184 -3.290 1.00 0.00 N ATOM 15 CA PHE A 20 16.785 2.466 -3.543 1.00 0.00 C ATOM 16 C PHE A 20 16.051 1.164 -3.816 1.00 0.00 C ATOM 17 O PHE A 20 16.571 0.283 -4.504 1.00 0.00 O ATOM 18 CB PHE A 20 16.619 3.411 -4.736 1.00 0.00 C ATOM 19 CG PHE A 20 17.279 4.752 -4.563 1.00 0.00 C ATOM 20 CD1 PHE A 20 18.626 4.924 -4.840 1.00 0.00 C ATOM 21 CD2 PHE A 20 16.547 5.843 -4.127 1.00 0.00 C ATOM 22 CE1 PHE A 20 19.228 6.157 -4.682 1.00 0.00 C ATOM 23 CE2 PHE A 20 17.143 7.079 -3.968 1.00 0.00 C ATOM 24 CZ PHE A 20 18.484 7.236 -4.245 1.00 0.00 C ATOM 0 H PHE A 20 18.806 2.363 -4.083 1.00 0.00 H new ATOM 0 HA PHE A 20 16.365 2.952 -2.662 1.00 0.00 H new ATOM 0 HB2 PHE A 20 17.028 2.930 -5.625 1.00 0.00 H new ATOM 0 HB3 PHE A 20 15.555 3.564 -4.918 1.00 0.00 H new ATOM 0 HD1 PHE A 20 19.212 4.084 -5.183 1.00 0.00 H new ATOM 0 HD2 PHE A 20 15.496 5.726 -3.908 1.00 0.00 H new ATOM 0 HE1 PHE A 20 20.279 6.277 -4.900 1.00 0.00 H new ATOM 0 HE2 PHE A 20 16.559 7.921 -3.627 1.00 0.00 H new ATOM 0 HZ PHE A 20 18.953 8.201 -4.121 1.00 0.00 H new ATOM 34 N VAL A 21 14.848 1.045 -3.290 1.00 0.00 N ATOM 35 CA VAL A 21 14.107 -0.200 -3.378 1.00 0.00 C ATOM 36 C VAL A 21 12.620 0.041 -3.640 1.00 0.00 C ATOM 37 O VAL A 21 12.012 0.963 -3.091 1.00 0.00 O ATOM 38 CB VAL A 21 14.311 -1.035 -2.093 1.00 0.00 C ATOM 39 CG1 VAL A 21 14.089 -0.172 -0.867 1.00 0.00 C ATOM 40 CG2 VAL A 21 13.406 -2.258 -2.067 1.00 0.00 C ATOM 0 H VAL A 21 14.362 1.794 -2.797 1.00 0.00 H new ATOM 0 HA VAL A 21 14.496 -0.761 -4.228 1.00 0.00 H new ATOM 0 HB VAL A 21 15.340 -1.395 -2.087 1.00 0.00 H new ATOM 0 HG11 VAL A 21 14.236 -0.772 0.031 1.00 0.00 H new ATOM 0 HG12 VAL A 21 14.799 0.655 -0.871 1.00 0.00 H new ATOM 0 HG13 VAL A 21 13.073 0.222 -0.878 1.00 0.00 H new ATOM 0 HG21 VAL A 21 13.579 -2.819 -1.149 1.00 0.00 H new ATOM 0 HG22 VAL A 21 12.364 -1.941 -2.108 1.00 0.00 H new ATOM 0 HG23 VAL A 21 13.626 -2.892 -2.926 1.00 0.00 H new ATOM 50 N GLN A 22 12.056 -0.779 -4.515 1.00 0.00 N ATOM 51 CA GLN A 22 10.634 -0.735 -4.820 1.00 0.00 C ATOM 52 C GLN A 22 9.941 -1.935 -4.182 1.00 0.00 C ATOM 53 O GLN A 22 10.535 -3.009 -4.077 1.00 0.00 O ATOM 54 CB GLN A 22 10.426 -0.708 -6.343 1.00 0.00 C ATOM 55 CG GLN A 22 11.177 -1.797 -7.101 1.00 0.00 C ATOM 56 CD GLN A 22 10.367 -3.069 -7.288 1.00 0.00 C ATOM 57 OE1 GLN A 22 10.914 -4.169 -7.308 1.00 0.00 O ATOM 58 NE2 GLN A 22 9.062 -2.923 -7.474 1.00 0.00 N ATOM 0 H GLN A 22 12.570 -1.492 -5.032 1.00 0.00 H new ATOM 0 HA GLN A 22 10.194 0.173 -4.408 1.00 0.00 H new ATOM 0 HB2 GLN A 22 9.361 -0.804 -6.554 1.00 0.00 H new ATOM 0 HB3 GLN A 22 10.739 0.264 -6.723 1.00 0.00 H new ATOM 0 HG2 GLN A 22 11.469 -1.414 -8.079 1.00 0.00 H new ATOM 0 HG3 GLN A 22 12.096 -2.035 -6.565 1.00 0.00 H new ATOM 0 HE21 GLN A 22 8.644 -1.993 -7.450 1.00 0.00 H new ATOM 0 HE22 GLN A 22 8.476 -3.741 -7.641 1.00 0.00 H new ATOM 67 N CYS A 23 8.703 -1.758 -3.739 1.00 0.00 N ATOM 68 CA CYS A 23 8.015 -2.814 -3.010 1.00 0.00 C ATOM 69 C CYS A 23 6.505 -2.791 -3.243 1.00 0.00 C ATOM 70 O CYS A 23 5.907 -1.740 -3.500 1.00 0.00 O ATOM 71 CB CYS A 23 8.319 -2.682 -1.515 1.00 0.00 C ATOM 72 SG CYS A 23 7.952 -1.053 -0.822 1.00 0.00 S ATOM 0 H CYS A 23 8.161 -0.904 -3.870 1.00 0.00 H new ATOM 0 HA CYS A 23 8.382 -3.770 -3.384 1.00 0.00 H new ATOM 0 HB2 CYS A 23 7.745 -3.433 -0.972 1.00 0.00 H new ATOM 0 HB3 CYS A 23 9.373 -2.905 -1.349 1.00 0.00 H new ATOM 0 HG CYS A 23 7.066 -1.173 0.122 1.00 0.00 H new ATOM 78 N ASN A 24 5.893 -3.967 -3.164 1.00 0.00 N ATOM 79 CA ASN A 24 4.445 -4.081 -3.246 1.00 0.00 C ATOM 80 C ASN A 24 3.812 -3.555 -1.974 1.00 0.00 C ATOM 81 O ASN A 24 3.971 -4.124 -0.899 1.00 0.00 O ATOM 82 CB ASN A 24 4.001 -5.528 -3.493 1.00 0.00 C ATOM 83 CG ASN A 24 4.916 -6.541 -2.836 1.00 0.00 C ATOM 84 OD1 ASN A 24 4.720 -6.929 -1.683 1.00 0.00 O ATOM 85 ND2 ASN A 24 5.931 -6.974 -3.568 1.00 0.00 N ATOM 0 H ASN A 24 6.380 -4.855 -3.043 1.00 0.00 H new ATOM 0 HA ASN A 24 4.112 -3.483 -4.094 1.00 0.00 H new ATOM 0 HB2 ASN A 24 2.987 -5.662 -3.116 1.00 0.00 H new ATOM 0 HB3 ASN A 24 3.969 -5.716 -4.566 1.00 0.00 H new ATOM 0 HD21 ASN A 24 6.586 -7.654 -3.181 1.00 0.00 H new ATOM 0 HD22 ASN A 24 6.058 -6.628 -4.519 1.00 0.00 H new ATOM 92 N HIS A 25 3.106 -2.457 -2.111 1.00 0.00 N ATOM 93 CA HIS A 25 2.482 -1.794 -0.985 1.00 0.00 C ATOM 94 C HIS A 25 1.173 -2.481 -0.616 1.00 0.00 C ATOM 95 O HIS A 25 0.197 -2.405 -1.360 1.00 0.00 O ATOM 96 CB HIS A 25 2.246 -0.326 -1.336 1.00 0.00 C ATOM 97 CG HIS A 25 3.469 0.530 -1.208 1.00 0.00 C ATOM 98 ND1 HIS A 25 4.651 0.275 -1.874 1.00 0.00 N ATOM 99 CD2 HIS A 25 3.693 1.642 -0.469 1.00 0.00 C ATOM 100 CE1 HIS A 25 5.545 1.190 -1.546 1.00 0.00 C ATOM 101 NE2 HIS A 25 4.989 2.033 -0.698 1.00 0.00 N ATOM 0 H HIS A 25 2.947 -1.996 -3.007 1.00 0.00 H new ATOM 0 HA HIS A 25 3.141 -1.853 -0.119 1.00 0.00 H new ATOM 0 HB2 HIS A 25 1.874 -0.262 -2.359 1.00 0.00 H new ATOM 0 HB3 HIS A 25 1.466 0.072 -0.688 1.00 0.00 H new ATOM 0 HD1 HIS A 25 4.809 -0.499 -2.519 1.00 0.00 H new ATOM 0 HD2 HIS A 25 2.983 2.131 0.181 1.00 0.00 H new ATOM 0 HE1 HIS A 25 6.560 1.240 -1.911 1.00 0.00 H new ATOM 110 N HIS A 26 1.166 -3.173 0.517 1.00 0.00 N ATOM 111 CA HIS A 26 -0.023 -3.888 0.968 1.00 0.00 C ATOM 112 C HIS A 26 -0.966 -2.953 1.709 1.00 0.00 C ATOM 113 O HIS A 26 -0.575 -2.301 2.678 1.00 0.00 O ATOM 114 CB HIS A 26 0.346 -5.074 1.876 1.00 0.00 C ATOM 115 CG HIS A 26 1.099 -6.176 1.183 1.00 0.00 C ATOM 116 ND1 HIS A 26 0.553 -7.417 0.919 1.00 0.00 N ATOM 117 CD2 HIS A 26 2.366 -6.223 0.707 1.00 0.00 C ATOM 118 CE1 HIS A 26 1.451 -8.170 0.312 1.00 0.00 C ATOM 119 NE2 HIS A 26 2.557 -7.470 0.172 1.00 0.00 N ATOM 0 H HIS A 26 1.969 -3.255 1.140 1.00 0.00 H new ATOM 0 HA HIS A 26 -0.525 -4.274 0.081 1.00 0.00 H new ATOM 0 HB2 HIS A 26 0.948 -4.706 2.707 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -0.568 -5.487 2.303 1.00 0.00 H new ATOM 0 HD2 HIS A 26 3.092 -5.424 0.743 1.00 0.00 H new ATOM 0 HE1 HIS A 26 1.303 -9.189 -0.015 1.00 0.00 H new ATOM 0 HE2 HIS A 26 3.417 -7.802 -0.264 1.00 0.00 H new ATOM 128 N LEU A 27 -2.206 -2.907 1.254 1.00 0.00 N ATOM 129 CA LEU A 27 -3.235 -2.105 1.894 1.00 0.00 C ATOM 130 C LEU A 27 -4.055 -3.014 2.795 1.00 0.00 C ATOM 131 O LEU A 27 -4.436 -4.121 2.393 1.00 0.00 O ATOM 132 CB LEU A 27 -4.129 -1.443 0.830 1.00 0.00 C ATOM 133 CG LEU A 27 -4.964 -0.234 1.289 1.00 0.00 C ATOM 134 CD1 LEU A 27 -6.040 -0.642 2.275 1.00 0.00 C ATOM 135 CD2 LEU A 27 -4.073 0.824 1.912 1.00 0.00 C ATOM 0 H LEU A 27 -2.527 -3.422 0.434 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.781 -1.312 2.488 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.495 -1.125 0.002 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.810 -2.199 0.438 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.450 0.180 0.405 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.609 0.237 2.577 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.709 -1.364 1.806 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.577 -1.093 3.153 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.681 1.671 2.230 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.557 0.403 2.775 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -3.339 1.160 1.179 1.00 0.00 H new ATOM 147 N LEU A 28 -4.307 -2.554 4.010 1.00 0.00 N ATOM 148 CA LEU A 28 -5.031 -3.342 4.982 1.00 0.00 C ATOM 149 C LEU A 28 -6.458 -2.834 5.139 1.00 0.00 C ATOM 150 O LEU A 28 -6.698 -1.699 5.572 1.00 0.00 O ATOM 151 CB LEU A 28 -4.310 -3.328 6.330 1.00 0.00 C ATOM 152 CG LEU A 28 -4.086 -4.708 6.950 1.00 0.00 C ATOM 153 CD1 LEU A 28 -5.404 -5.456 7.104 1.00 0.00 C ATOM 154 CD2 LEU A 28 -3.103 -5.503 6.105 1.00 0.00 C ATOM 0 H LEU A 28 -4.018 -1.634 4.343 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.072 -4.369 4.620 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.343 -2.840 6.204 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.886 -2.720 7.028 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.663 -4.579 7.946 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.218 -6.434 7.547 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.072 -4.887 7.750 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.867 -5.583 6.125 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.949 -6.485 6.553 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.503 -5.623 5.098 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.152 -4.972 6.057 1.00 0.00 H new ATOM 166 N TYR A 29 -7.390 -3.697 4.785 1.00 0.00 N ATOM 167 CA TYR A 29 -8.808 -3.421 4.918 1.00 0.00 C ATOM 168 C TYR A 29 -9.278 -4.010 6.237 1.00 0.00 C ATOM 169 O TYR A 29 -8.756 -5.035 6.672 1.00 0.00 O ATOM 170 CB TYR A 29 -9.567 -4.046 3.733 1.00 0.00 C ATOM 171 CG TYR A 29 -11.074 -3.934 3.803 1.00 0.00 C ATOM 172 CD1 TYR A 29 -11.729 -2.813 3.317 1.00 0.00 C ATOM 173 CD2 TYR A 29 -11.840 -4.957 4.348 1.00 0.00 C ATOM 174 CE1 TYR A 29 -13.105 -2.712 3.372 1.00 0.00 C ATOM 175 CE2 TYR A 29 -13.216 -4.863 4.408 1.00 0.00 C ATOM 176 CZ TYR A 29 -13.842 -3.738 3.920 1.00 0.00 C ATOM 177 OH TYR A 29 -15.213 -3.638 3.978 1.00 0.00 O ATOM 0 H TYR A 29 -7.184 -4.616 4.394 1.00 0.00 H new ATOM 0 HA TYR A 29 -8.999 -2.348 4.910 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -9.226 -3.572 2.813 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -9.300 -5.101 3.666 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -11.154 -2.006 2.888 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -11.351 -5.840 4.731 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -13.601 -1.833 2.987 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -13.798 -5.667 4.835 1.00 0.00 H new ATOM 0 HH TYR A 29 -15.583 -4.446 4.392 1.00 0.00 H new ATOM 187 N ASN A 30 -10.225 -3.346 6.886 1.00 0.00 N ATOM 188 CA ASN A 30 -10.731 -3.806 8.174 1.00 0.00 C ATOM 189 C ASN A 30 -11.283 -5.220 8.050 1.00 0.00 C ATOM 190 O ASN A 30 -12.411 -5.421 7.593 1.00 0.00 O ATOM 191 CB ASN A 30 -11.824 -2.863 8.696 1.00 0.00 C ATOM 192 CG ASN A 30 -11.317 -1.457 8.979 1.00 0.00 C ATOM 193 OD1 ASN A 30 -10.386 -0.969 8.337 1.00 0.00 O ATOM 194 ND2 ASN A 30 -11.928 -0.793 9.944 1.00 0.00 N ATOM 0 H ASN A 30 -10.658 -2.489 6.543 1.00 0.00 H new ATOM 0 HA ASN A 30 -9.904 -3.807 8.884 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -12.630 -2.811 7.964 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -12.249 -3.280 9.609 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -11.632 0.155 10.178 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -12.696 -1.228 10.455 1.00 0.00 H new ATOM 201 N GLY A 31 -10.480 -6.193 8.460 1.00 0.00 N ATOM 202 CA GLY A 31 -10.870 -7.579 8.340 1.00 0.00 C ATOM 203 C GLY A 31 -9.765 -8.451 7.770 1.00 0.00 C ATOM 204 O GLY A 31 -9.516 -9.546 8.283 1.00 0.00 O ATOM 0 H GLY A 31 -9.561 -6.043 8.876 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -11.157 -7.958 9.321 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -11.750 -7.651 7.701 1.00 0.00 H new ATOM 208 N ARG A 32 -9.085 -7.967 6.725 1.00 0.00 N ATOM 209 CA ARG A 32 -8.075 -8.768 6.029 1.00 0.00 C ATOM 210 C ARG A 32 -7.356 -7.945 4.948 1.00 0.00 C ATOM 211 O ARG A 32 -7.790 -6.848 4.599 1.00 0.00 O ATOM 212 CB ARG A 32 -8.743 -10.007 5.400 1.00 0.00 C ATOM 213 CG ARG A 32 -7.772 -11.021 4.811 1.00 0.00 C ATOM 214 CD ARG A 32 -6.809 -11.552 5.863 1.00 0.00 C ATOM 215 NE ARG A 32 -5.781 -12.412 5.279 1.00 0.00 N ATOM 216 CZ ARG A 32 -4.584 -12.622 5.824 1.00 0.00 C ATOM 217 NH1 ARG A 32 -4.224 -11.965 6.920 1.00 0.00 N ATOM 218 NH2 ARG A 32 -3.737 -13.468 5.252 1.00 0.00 N ATOM 0 H ARG A 32 -9.215 -7.029 6.345 1.00 0.00 H new ATOM 0 HA ARG A 32 -7.327 -9.086 6.755 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -9.348 -10.502 6.160 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -9.424 -9.677 4.615 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.330 -11.850 4.377 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -7.208 -10.558 4.002 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -6.334 -10.715 6.375 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -7.366 -12.111 6.615 1.00 0.00 H new ATOM 0 HE ARG A 32 -5.994 -12.881 4.399 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -4.865 -11.297 7.348 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -3.306 -12.129 7.334 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -4.003 -13.956 4.397 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -2.820 -13.630 5.668 1.00 0.00 H new ATOM 232 N HIS A 33 -6.233 -8.482 4.458 1.00 0.00 N ATOM 233 CA HIS A 33 -5.501 -7.927 3.317 1.00 0.00 C ATOM 234 C HIS A 33 -6.447 -7.509 2.191 1.00 0.00 C ATOM 235 O HIS A 33 -7.268 -8.303 1.729 1.00 0.00 O ATOM 236 CB HIS A 33 -4.499 -8.985 2.820 1.00 0.00 C ATOM 237 CG HIS A 33 -4.031 -8.812 1.399 1.00 0.00 C ATOM 238 ND1 HIS A 33 -4.236 -9.768 0.430 1.00 0.00 N ATOM 239 CD2 HIS A 33 -3.365 -7.800 0.784 1.00 0.00 C ATOM 240 CE1 HIS A 33 -3.717 -9.362 -0.707 1.00 0.00 C ATOM 241 NE2 HIS A 33 -3.184 -8.170 -0.527 1.00 0.00 N ATOM 0 H HIS A 33 -5.804 -9.322 4.847 1.00 0.00 H new ATOM 0 HA HIS A 33 -4.971 -7.029 3.635 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -3.628 -8.973 3.476 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -4.957 -9.969 2.917 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -3.039 -6.877 1.240 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -3.726 -9.914 -1.635 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -2.715 -7.614 -1.242 1.00 0.00 H new ATOM 250 N TRP A 34 -6.309 -6.263 1.753 1.00 0.00 N ATOM 251 CA TRP A 34 -7.202 -5.701 0.752 1.00 0.00 C ATOM 252 C TRP A 34 -6.575 -5.728 -0.641 1.00 0.00 C ATOM 253 O TRP A 34 -7.119 -6.343 -1.556 1.00 0.00 O ATOM 254 CB TRP A 34 -7.552 -4.267 1.151 1.00 0.00 C ATOM 255 CG TRP A 34 -8.557 -3.602 0.264 1.00 0.00 C ATOM 256 CD1 TRP A 34 -8.391 -2.433 -0.414 1.00 0.00 C ATOM 257 CD2 TRP A 34 -9.883 -4.059 -0.036 1.00 0.00 C ATOM 258 NE1 TRP A 34 -9.531 -2.126 -1.106 1.00 0.00 N ATOM 259 CE2 TRP A 34 -10.461 -3.108 -0.896 1.00 0.00 C ATOM 260 CE3 TRP A 34 -10.639 -5.174 0.339 1.00 0.00 C ATOM 261 CZ2 TRP A 34 -11.757 -3.239 -1.389 1.00 0.00 C ATOM 262 CZ3 TRP A 34 -11.924 -5.304 -0.151 1.00 0.00 C ATOM 263 CH2 TRP A 34 -12.473 -4.340 -1.007 1.00 0.00 C ATOM 0 H TRP A 34 -5.584 -5.623 2.078 1.00 0.00 H new ATOM 0 HA TRP A 34 -8.106 -6.308 0.709 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -7.934 -4.271 2.172 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -6.639 -3.671 1.154 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -7.491 -1.836 -0.407 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -9.666 -1.298 -1.686 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -10.225 -5.921 1.000 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -12.182 -2.497 -2.050 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -12.515 -6.163 0.130 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -13.481 -4.469 -1.372 1.00 0.00 H new ATOM 274 N GLY A 35 -5.414 -5.100 -0.791 1.00 0.00 N ATOM 275 CA GLY A 35 -4.785 -5.019 -2.100 1.00 0.00 C ATOM 276 C GLY A 35 -3.326 -4.630 -2.012 1.00 0.00 C ATOM 277 O GLY A 35 -2.812 -4.400 -0.915 1.00 0.00 O ATOM 0 H GLY A 35 -4.898 -4.648 -0.036 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.872 -5.982 -2.603 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.317 -4.290 -2.712 1.00 0.00 H new ATOM 281 N THR A 36 -2.652 -4.580 -3.153 1.00 0.00 N ATOM 282 CA THR A 36 -1.244 -4.262 -3.191 1.00 0.00 C ATOM 283 C THR A 36 -0.853 -3.624 -4.527 1.00 0.00 C ATOM 284 O THR A 36 -1.254 -4.088 -5.597 1.00 0.00 O ATOM 285 CB THR A 36 -0.414 -5.538 -2.903 1.00 0.00 C ATOM 286 OG1 THR A 36 0.095 -5.482 -1.572 1.00 0.00 O ATOM 287 CG2 THR A 36 0.726 -5.723 -3.886 1.00 0.00 C ATOM 0 H THR A 36 -3.068 -4.758 -4.067 1.00 0.00 H new ATOM 0 HA THR A 36 -1.028 -3.526 -2.416 1.00 0.00 H new ATOM 0 HB THR A 36 -1.077 -6.396 -3.018 1.00 0.00 H new ATOM 0 HG1 THR A 36 -0.457 -6.041 -0.987 1.00 0.00 H new ATOM 0 HG21 THR A 36 1.275 -6.631 -3.639 1.00 0.00 H new ATOM 0 HG22 THR A 36 0.326 -5.804 -4.896 1.00 0.00 H new ATOM 0 HG23 THR A 36 1.398 -4.866 -3.830 1.00 0.00 H new ATOM 295 N ILE A 37 -0.100 -2.530 -4.448 1.00 0.00 N ATOM 296 CA ILE A 37 0.412 -1.852 -5.632 1.00 0.00 C ATOM 297 C ILE A 37 1.940 -1.827 -5.586 1.00 0.00 C ATOM 298 O ILE A 37 2.528 -1.528 -4.545 1.00 0.00 O ATOM 299 CB ILE A 37 -0.110 -0.391 -5.764 1.00 0.00 C ATOM 300 CG1 ILE A 37 -1.631 -0.342 -5.964 1.00 0.00 C ATOM 301 CG2 ILE A 37 0.580 0.319 -6.924 1.00 0.00 C ATOM 302 CD1 ILE A 37 -2.433 -0.583 -4.706 1.00 0.00 C ATOM 0 H ILE A 37 0.170 -2.092 -3.567 1.00 0.00 H new ATOM 0 HA ILE A 37 0.055 -2.411 -6.497 1.00 0.00 H new ATOM 0 HB ILE A 37 0.125 0.120 -4.830 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.901 0.632 -6.371 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.912 -1.087 -6.708 1.00 0.00 H new ATOM 0 HG21 ILE A 37 0.203 1.339 -7.002 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.656 0.342 -6.749 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.375 -0.215 -7.852 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.497 -0.531 -4.937 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.196 -1.569 -4.307 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -2.185 0.177 -3.965 1.00 0.00 H new ATOM 314 N ARG A 38 2.581 -2.147 -6.703 1.00 0.00 N ATOM 315 CA ARG A 38 4.036 -2.154 -6.772 1.00 0.00 C ATOM 316 C ARG A 38 4.558 -0.728 -6.955 1.00 0.00 C ATOM 317 O ARG A 38 4.456 -0.153 -8.038 1.00 0.00 O ATOM 318 CB ARG A 38 4.498 -3.036 -7.933 1.00 0.00 C ATOM 319 CG ARG A 38 5.923 -3.542 -7.806 1.00 0.00 C ATOM 320 CD ARG A 38 6.066 -4.560 -6.685 1.00 0.00 C ATOM 321 NE ARG A 38 5.143 -5.684 -6.844 1.00 0.00 N ATOM 322 CZ ARG A 38 5.510 -6.963 -6.783 1.00 0.00 C ATOM 323 NH1 ARG A 38 6.793 -7.288 -6.700 1.00 0.00 N ATOM 324 NH2 ARG A 38 4.588 -7.914 -6.845 1.00 0.00 N ATOM 0 H ARG A 38 2.116 -2.405 -7.573 1.00 0.00 H new ATOM 0 HA ARG A 38 4.434 -2.558 -5.841 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.827 -3.891 -8.013 1.00 0.00 H new ATOM 0 HB3 ARG A 38 4.407 -2.472 -8.861 1.00 0.00 H new ATOM 0 HG2 ARG A 38 6.233 -3.994 -8.748 1.00 0.00 H new ATOM 0 HG3 ARG A 38 6.592 -2.701 -7.620 1.00 0.00 H new ATOM 0 HD2 ARG A 38 7.090 -4.932 -6.662 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.882 -4.073 -5.727 1.00 0.00 H new ATOM 0 HE ARG A 38 4.159 -5.476 -7.012 1.00 0.00 H new ATOM 0 HH11 ARG A 38 7.504 -6.557 -6.683 1.00 0.00 H new ATOM 0 HH12 ARG A 38 7.069 -8.269 -6.654 1.00 0.00 H new ATOM 0 HH21 ARG A 38 3.603 -7.664 -6.939 1.00 0.00 H new ATOM 0 HH22 ARG A 38 4.863 -8.895 -6.799 1.00 0.00 H new ATOM 338 N LYS A 39 5.102 -0.155 -5.889 1.00 0.00 N ATOM 339 CA LYS A 39 5.596 1.217 -5.928 1.00 0.00 C ATOM 340 C LYS A 39 6.917 1.333 -5.175 1.00 0.00 C ATOM 341 O LYS A 39 7.137 0.647 -4.177 1.00 0.00 O ATOM 342 CB LYS A 39 4.551 2.171 -5.326 1.00 0.00 C ATOM 343 CG LYS A 39 4.975 3.639 -5.321 1.00 0.00 C ATOM 344 CD LYS A 39 5.217 4.168 -6.728 1.00 0.00 C ATOM 345 CE LYS A 39 3.915 4.411 -7.479 1.00 0.00 C ATOM 346 NZ LYS A 39 3.193 5.613 -6.979 1.00 0.00 N ATOM 0 H LYS A 39 5.213 -0.618 -4.987 1.00 0.00 H new ATOM 0 HA LYS A 39 5.769 1.495 -6.968 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.621 2.075 -5.887 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.340 1.862 -4.302 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.203 4.237 -4.836 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.884 3.752 -4.730 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.783 5.098 -6.673 1.00 0.00 H new ATOM 0 HD3 LYS A 39 5.828 3.456 -7.283 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.128 4.533 -8.541 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.272 3.536 -7.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.178 5.400 -6.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.565 5.878 -6.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.331 6.402 -7.643 1.00 0.00 H new ATOM 360 N LYS A 40 7.796 2.191 -5.673 1.00 0.00 N ATOM 361 CA LYS A 40 9.088 2.433 -5.045 1.00 0.00 C ATOM 362 C LYS A 40 8.911 3.144 -3.710 1.00 0.00 C ATOM 363 O LYS A 40 7.966 3.915 -3.525 1.00 0.00 O ATOM 364 CB LYS A 40 9.965 3.279 -5.968 1.00 0.00 C ATOM 365 CG LYS A 40 10.175 2.659 -7.340 1.00 0.00 C ATOM 366 CD LYS A 40 11.049 3.531 -8.223 1.00 0.00 C ATOM 367 CE LYS A 40 12.435 3.718 -7.636 1.00 0.00 C ATOM 368 NZ LYS A 40 13.301 4.513 -8.541 1.00 0.00 N ATOM 0 H LYS A 40 7.635 2.737 -6.520 1.00 0.00 H new ATOM 0 HA LYS A 40 9.571 1.472 -4.867 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.510 4.262 -6.088 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.935 3.432 -5.495 1.00 0.00 H new ATOM 0 HG2 LYS A 40 10.635 1.677 -7.229 1.00 0.00 H new ATOM 0 HG3 LYS A 40 9.209 2.506 -7.822 1.00 0.00 H new ATOM 0 HD2 LYS A 40 11.131 3.080 -9.212 1.00 0.00 H new ATOM 0 HD3 LYS A 40 10.576 4.504 -8.355 1.00 0.00 H new ATOM 0 HE2 LYS A 40 12.359 4.218 -6.670 1.00 0.00 H new ATOM 0 HE3 LYS A 40 12.890 2.744 -7.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 14.242 4.624 -8.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 13.392 4.023 -9.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 12.877 5.450 -8.692 1.00 0.00 H new ATOM 382 N ALA A 41 9.820 2.872 -2.784 1.00 0.00 N ATOM 383 CA ALA A 41 9.782 3.480 -1.466 1.00 0.00 C ATOM 384 C ALA A 41 10.013 4.982 -1.554 1.00 0.00 C ATOM 385 O ALA A 41 10.877 5.445 -2.294 1.00 0.00 O ATOM 386 CB ALA A 41 10.818 2.838 -0.561 1.00 0.00 C ATOM 0 H ALA A 41 10.598 2.228 -2.926 1.00 0.00 H new ATOM 0 HA ALA A 41 8.792 3.313 -1.041 1.00 0.00 H new ATOM 0 HB1 ALA A 41 10.779 3.303 0.424 1.00 0.00 H new ATOM 0 HB2 ALA A 41 10.609 1.772 -0.468 1.00 0.00 H new ATOM 0 HB3 ALA A 41 11.811 2.977 -0.989 1.00 0.00 H new ATOM 392 N GLY A 42 9.222 5.732 -0.807 1.00 0.00 N ATOM 393 CA GLY A 42 9.340 7.175 -0.814 1.00 0.00 C ATOM 394 C GLY A 42 8.339 7.822 -1.743 1.00 0.00 C ATOM 395 O GLY A 42 7.947 8.972 -1.545 1.00 0.00 O ATOM 0 H GLY A 42 8.495 5.366 -0.192 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.194 7.555 0.197 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.349 7.454 -1.117 1.00 0.00 H new ATOM 399 N TRP A 43 7.919 7.079 -2.754 1.00 0.00 N ATOM 400 CA TRP A 43 6.946 7.571 -3.715 1.00 0.00 C ATOM 401 C TRP A 43 5.531 7.262 -3.245 1.00 0.00 C ATOM 402 O TRP A 43 5.227 6.134 -2.847 1.00 0.00 O ATOM 403 CB TRP A 43 7.203 6.958 -5.092 1.00 0.00 C ATOM 404 CG TRP A 43 8.483 7.432 -5.713 1.00 0.00 C ATOM 405 CD1 TRP A 43 9.750 7.040 -5.387 1.00 0.00 C ATOM 406 CD2 TRP A 43 8.618 8.390 -6.767 1.00 0.00 C ATOM 407 NE1 TRP A 43 10.664 7.700 -6.171 1.00 0.00 N ATOM 408 CE2 TRP A 43 9.994 8.532 -7.029 1.00 0.00 C ATOM 409 CE3 TRP A 43 7.709 9.141 -7.518 1.00 0.00 C ATOM 410 CZ2 TRP A 43 10.481 9.396 -8.006 1.00 0.00 C ATOM 411 CZ3 TRP A 43 8.193 9.997 -8.487 1.00 0.00 C ATOM 412 CH2 TRP A 43 9.568 10.117 -8.726 1.00 0.00 C ATOM 0 H TRP A 43 8.239 6.127 -2.931 1.00 0.00 H new ATOM 0 HA TRP A 43 7.051 8.653 -3.795 1.00 0.00 H new ATOM 0 HB2 TRP A 43 7.230 5.872 -5.001 1.00 0.00 H new ATOM 0 HB3 TRP A 43 6.372 7.202 -5.754 1.00 0.00 H new ATOM 0 HD1 TRP A 43 9.997 6.317 -4.624 1.00 0.00 H new ATOM 0 HE1 TRP A 43 11.677 7.589 -6.123 1.00 0.00 H new ATOM 0 HE3 TRP A 43 6.647 9.053 -7.343 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 11.541 9.494 -8.189 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 7.500 10.584 -9.071 1.00 0.00 H new ATOM 0 HH2 TRP A 43 9.914 10.792 -9.494 1.00 0.00 H new ATOM 423 N ALA A 44 4.681 8.278 -3.274 1.00 0.00 N ATOM 424 CA ALA A 44 3.311 8.156 -2.809 1.00 0.00 C ATOM 425 C ALA A 44 2.480 7.307 -3.761 1.00 0.00 C ATOM 426 O ALA A 44 2.432 7.562 -4.966 1.00 0.00 O ATOM 427 CB ALA A 44 2.696 9.536 -2.639 1.00 0.00 C ATOM 0 H ALA A 44 4.922 9.207 -3.620 1.00 0.00 H new ATOM 0 HA ALA A 44 3.319 7.653 -1.842 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.668 9.436 -2.290 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.273 10.104 -1.910 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.705 10.059 -3.595 1.00 0.00 H new ATOM 433 N VAL A 45 1.834 6.292 -3.213 1.00 0.00 N ATOM 434 CA VAL A 45 1.033 5.377 -4.004 1.00 0.00 C ATOM 435 C VAL A 45 -0.436 5.460 -3.596 1.00 0.00 C ATOM 436 O VAL A 45 -0.755 5.691 -2.427 1.00 0.00 O ATOM 437 CB VAL A 45 1.553 3.930 -3.856 1.00 0.00 C ATOM 438 CG1 VAL A 45 1.474 3.464 -2.413 1.00 0.00 C ATOM 439 CG2 VAL A 45 0.794 2.986 -4.772 1.00 0.00 C ATOM 0 H VAL A 45 1.850 6.081 -2.215 1.00 0.00 H new ATOM 0 HA VAL A 45 1.118 5.667 -5.051 1.00 0.00 H new ATOM 0 HB VAL A 45 2.602 3.920 -4.153 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.847 2.442 -2.340 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.081 4.117 -1.786 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.438 3.497 -2.076 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.178 1.973 -4.650 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.266 3.005 -4.517 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.924 3.301 -5.807 1.00 0.00 H new ATOM 449 N ARG A 46 -1.322 5.295 -4.571 1.00 0.00 N ATOM 450 CA ARG A 46 -2.752 5.400 -4.329 1.00 0.00 C ATOM 451 C ARG A 46 -3.313 4.096 -3.774 1.00 0.00 C ATOM 452 O ARG A 46 -2.854 3.008 -4.124 1.00 0.00 O ATOM 453 CB ARG A 46 -3.503 5.782 -5.620 1.00 0.00 C ATOM 454 CG ARG A 46 -3.956 4.596 -6.482 1.00 0.00 C ATOM 455 CD ARG A 46 -2.787 3.843 -7.106 1.00 0.00 C ATOM 456 NE ARG A 46 -3.209 2.577 -7.711 1.00 0.00 N ATOM 457 CZ ARG A 46 -2.626 2.028 -8.777 1.00 0.00 C ATOM 458 NH1 ARG A 46 -1.698 2.699 -9.449 1.00 0.00 N ATOM 459 NH2 ARG A 46 -2.989 0.820 -9.195 1.00 0.00 N ATOM 0 H ARG A 46 -1.072 5.088 -5.538 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.900 6.186 -3.589 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -4.379 6.372 -5.352 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.858 6.423 -6.221 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -4.540 3.909 -5.870 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -4.614 4.957 -7.272 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -2.317 4.468 -7.865 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -2.034 3.647 -6.343 1.00 0.00 H new ATOM 0 HE ARG A 46 -3.998 2.085 -7.291 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -1.430 3.637 -9.150 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -1.253 2.277 -10.264 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -3.718 0.307 -8.700 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -2.539 0.406 -10.011 1.00 0.00 H new ATOM 473 N PHE A 47 -4.292 4.220 -2.897 1.00 0.00 N ATOM 474 CA PHE A 47 -5.052 3.076 -2.422 1.00 0.00 C ATOM 475 C PHE A 47 -6.524 3.427 -2.437 1.00 0.00 C ATOM 476 O PHE A 47 -6.885 4.569 -2.176 1.00 0.00 O ATOM 477 CB PHE A 47 -4.626 2.681 -1.015 1.00 0.00 C ATOM 478 CG PHE A 47 -3.220 2.167 -0.931 1.00 0.00 C ATOM 479 CD1 PHE A 47 -2.896 0.925 -1.446 1.00 0.00 C ATOM 480 CD2 PHE A 47 -2.229 2.917 -0.324 1.00 0.00 C ATOM 481 CE1 PHE A 47 -1.608 0.440 -1.360 1.00 0.00 C ATOM 482 CE2 PHE A 47 -0.940 2.436 -0.233 1.00 0.00 C ATOM 483 CZ PHE A 47 -0.630 1.196 -0.752 1.00 0.00 C ATOM 0 H PHE A 47 -4.583 5.111 -2.495 1.00 0.00 H new ATOM 0 HA PHE A 47 -4.862 2.227 -3.079 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -4.727 3.545 -0.359 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -5.306 1.916 -0.641 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -3.661 0.328 -1.921 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -2.467 3.889 0.083 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -1.367 -0.530 -1.768 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -0.174 3.029 0.244 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.379 0.818 -0.682 1.00 0.00 H new ATOM 493 N TYR A 48 -7.374 2.461 -2.732 1.00 0.00 N ATOM 494 CA TYR A 48 -8.790 2.741 -2.906 1.00 0.00 C ATOM 495 C TYR A 48 -9.650 1.560 -2.483 1.00 0.00 C ATOM 496 O TYR A 48 -9.162 0.442 -2.320 1.00 0.00 O ATOM 497 CB TYR A 48 -9.078 3.103 -4.372 1.00 0.00 C ATOM 498 CG TYR A 48 -8.753 1.998 -5.355 1.00 0.00 C ATOM 499 CD1 TYR A 48 -7.443 1.753 -5.748 1.00 0.00 C ATOM 500 CD2 TYR A 48 -9.759 1.202 -5.889 1.00 0.00 C ATOM 501 CE1 TYR A 48 -7.145 0.748 -6.645 1.00 0.00 C ATOM 502 CE2 TYR A 48 -9.470 0.195 -6.786 1.00 0.00 C ATOM 503 CZ TYR A 48 -8.162 -0.029 -7.160 1.00 0.00 C ATOM 504 OH TYR A 48 -7.872 -1.029 -8.059 1.00 0.00 O ATOM 0 H TYR A 48 -7.113 1.483 -2.856 1.00 0.00 H new ATOM 0 HA TYR A 48 -9.045 3.586 -2.266 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -10.132 3.365 -4.471 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -8.503 3.991 -4.636 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -6.645 2.359 -5.345 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -10.784 1.375 -5.597 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -6.122 0.571 -6.942 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -10.263 -0.414 -7.193 1.00 0.00 H new ATOM 0 HH TYR A 48 -8.700 -1.482 -8.323 1.00 0.00 H new ATOM 514 N GLU A 49 -10.926 1.841 -2.283 1.00 0.00 N ATOM 515 CA GLU A 49 -11.913 0.820 -1.982 1.00 0.00 C ATOM 516 C GLU A 49 -12.821 0.624 -3.188 1.00 0.00 C ATOM 517 O GLU A 49 -13.271 1.597 -3.795 1.00 0.00 O ATOM 518 CB GLU A 49 -12.751 1.230 -0.768 1.00 0.00 C ATOM 519 CG GLU A 49 -13.429 2.580 -0.940 1.00 0.00 C ATOM 520 CD GLU A 49 -14.381 2.919 0.186 1.00 0.00 C ATOM 521 OE1 GLU A 49 -13.940 3.514 1.191 1.00 0.00 O ATOM 522 OE2 GLU A 49 -15.582 2.608 0.063 1.00 0.00 O ATOM 0 H GLU A 49 -11.307 2.786 -2.325 1.00 0.00 H new ATOM 0 HA GLU A 49 -11.399 -0.113 -1.753 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.510 0.470 -0.584 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -12.111 1.261 0.114 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -12.666 3.356 -1.008 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -13.975 2.587 -1.883 1.00 0.00 H new ATOM 529 N GLU A 50 -13.078 -0.619 -3.543 1.00 0.00 N ATOM 530 CA GLU A 50 -13.980 -0.914 -4.640 1.00 0.00 C ATOM 531 C GLU A 50 -15.273 -1.521 -4.115 1.00 0.00 C ATOM 532 O GLU A 50 -15.284 -2.613 -3.544 1.00 0.00 O ATOM 533 CB GLU A 50 -13.312 -1.835 -5.670 1.00 0.00 C ATOM 534 CG GLU A 50 -12.770 -3.135 -5.097 1.00 0.00 C ATOM 535 CD GLU A 50 -12.043 -3.960 -6.138 1.00 0.00 C ATOM 536 OE1 GLU A 50 -12.700 -4.777 -6.821 1.00 0.00 O ATOM 537 OE2 GLU A 50 -10.816 -3.783 -6.291 1.00 0.00 O ATOM 0 H GLU A 50 -12.677 -1.440 -3.090 1.00 0.00 H new ATOM 0 HA GLU A 50 -14.224 0.021 -5.145 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -14.035 -2.071 -6.451 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -12.494 -1.294 -6.146 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -12.091 -2.912 -4.274 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -13.592 -3.718 -4.683 1.00 0.00 H new ATOM 544 N LYS A 51 -16.357 -0.787 -4.279 1.00 0.00 N ATOM 545 CA LYS A 51 -17.660 -1.243 -3.840 1.00 0.00 C ATOM 546 C LYS A 51 -18.508 -1.598 -5.054 1.00 0.00 C ATOM 547 O LYS A 51 -18.655 -0.788 -5.966 1.00 0.00 O ATOM 548 CB LYS A 51 -18.338 -0.152 -3.007 1.00 0.00 C ATOM 549 CG LYS A 51 -17.546 0.256 -1.771 1.00 0.00 C ATOM 550 CD LYS A 51 -17.485 -0.872 -0.750 1.00 0.00 C ATOM 551 CE LYS A 51 -16.588 -0.523 0.432 1.00 0.00 C ATOM 552 NZ LYS A 51 -17.007 0.737 1.102 1.00 0.00 N ATOM 0 H LYS A 51 -16.359 0.134 -4.717 1.00 0.00 H new ATOM 0 HA LYS A 51 -17.548 -2.131 -3.218 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -18.495 0.726 -3.633 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -19.323 -0.503 -2.697 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -16.535 0.539 -2.063 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -18.005 1.135 -1.317 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -18.490 -1.090 -0.390 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -17.115 -1.777 -1.231 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -16.606 -1.340 1.154 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -15.558 -0.425 0.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -16.967 0.612 2.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -16.368 1.508 0.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -17.980 0.973 0.820 1.00 0.00 H new ATOM 566 N PRO A 52 -19.046 -2.823 -5.098 1.00 0.00 N ATOM 567 CA PRO A 52 -19.854 -3.293 -6.230 1.00 0.00 C ATOM 568 C PRO A 52 -21.034 -2.371 -6.522 1.00 0.00 C ATOM 569 O PRO A 52 -21.813 -2.034 -5.626 1.00 0.00 O ATOM 570 CB PRO A 52 -20.339 -4.671 -5.778 1.00 0.00 C ATOM 571 CG PRO A 52 -19.340 -5.107 -4.764 1.00 0.00 C ATOM 572 CD PRO A 52 -18.906 -3.855 -4.058 1.00 0.00 C ATOM 0 HA PRO A 52 -19.282 -3.318 -7.157 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -21.340 -4.618 -5.351 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -20.386 -5.369 -6.614 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -19.777 -5.820 -4.065 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -18.493 -5.604 -5.237 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -19.532 -3.642 -3.192 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -17.880 -3.929 -3.699 1.00 0.00 H new ATOM 580 N GLY A 53 -21.135 -1.940 -7.775 1.00 0.00 N ATOM 581 CA GLY A 53 -22.206 -1.050 -8.180 1.00 0.00 C ATOM 582 C GLY A 53 -21.882 0.405 -7.900 1.00 0.00 C ATOM 583 O GLY A 53 -22.589 1.309 -8.346 1.00 0.00 O ATOM 0 H GLY A 53 -20.488 -2.194 -8.522 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -22.399 -1.179 -9.245 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -23.121 -1.324 -7.655 1.00 0.00 H new ATOM 587 N GLN A 54 -20.802 0.626 -7.172 1.00 0.00 N ATOM 588 CA GLN A 54 -20.419 1.958 -6.732 1.00 0.00 C ATOM 589 C GLN A 54 -19.014 2.307 -7.223 1.00 0.00 C ATOM 590 O GLN A 54 -18.237 1.420 -7.581 1.00 0.00 O ATOM 591 CB GLN A 54 -20.488 2.000 -5.206 1.00 0.00 C ATOM 592 CG GLN A 54 -21.868 1.641 -4.682 1.00 0.00 C ATOM 593 CD GLN A 54 -21.893 1.375 -3.192 1.00 0.00 C ATOM 594 OE1 GLN A 54 -22.070 2.291 -2.386 1.00 0.00 O ATOM 595 NE2 GLN A 54 -21.747 0.115 -2.816 1.00 0.00 N ATOM 0 H GLN A 54 -20.166 -0.111 -6.869 1.00 0.00 H new ATOM 0 HA GLN A 54 -21.102 2.697 -7.151 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -19.753 1.309 -4.792 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -20.218 2.998 -4.859 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -22.558 2.453 -4.911 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -22.230 0.757 -5.208 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -21.602 -0.613 -3.516 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -21.779 -0.129 -1.826 1.00 0.00 H new ATOM 604 N PRO A 55 -18.682 3.607 -7.282 1.00 0.00 N ATOM 605 CA PRO A 55 -17.349 4.068 -7.681 1.00 0.00 C ATOM 606 C PRO A 55 -16.302 3.773 -6.616 1.00 0.00 C ATOM 607 O PRO A 55 -16.624 3.616 -5.437 1.00 0.00 O ATOM 608 CB PRO A 55 -17.531 5.575 -7.845 1.00 0.00 C ATOM 609 CG PRO A 55 -18.653 5.918 -6.932 1.00 0.00 C ATOM 610 CD PRO A 55 -19.579 4.735 -6.969 1.00 0.00 C ATOM 0 HA PRO A 55 -16.994 3.569 -8.582 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -16.623 6.115 -7.578 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -17.765 5.836 -8.877 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -18.293 6.102 -5.920 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -19.162 6.825 -7.259 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -20.086 4.592 -6.015 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -20.353 4.855 -7.727 1.00 0.00 H new ATOM 618 N LYS A 56 -15.051 3.698 -7.040 1.00 0.00 N ATOM 619 CA LYS A 56 -13.958 3.414 -6.131 1.00 0.00 C ATOM 620 C LYS A 56 -13.420 4.704 -5.524 1.00 0.00 C ATOM 621 O LYS A 56 -13.285 5.721 -6.209 1.00 0.00 O ATOM 622 CB LYS A 56 -12.858 2.623 -6.849 1.00 0.00 C ATOM 623 CG LYS A 56 -12.315 3.284 -8.105 1.00 0.00 C ATOM 624 CD LYS A 56 -11.977 2.240 -9.156 1.00 0.00 C ATOM 625 CE LYS A 56 -11.382 2.861 -10.411 1.00 0.00 C ATOM 626 NZ LYS A 56 -10.005 3.383 -10.192 1.00 0.00 N ATOM 0 H LYS A 56 -14.769 3.831 -8.011 1.00 0.00 H new ATOM 0 HA LYS A 56 -14.329 2.796 -5.313 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -12.033 2.462 -6.155 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -13.249 1.640 -7.113 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -13.052 3.982 -8.502 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -11.425 3.864 -7.861 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -11.272 1.522 -8.739 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -12.878 1.686 -9.419 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -11.362 2.116 -11.207 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -12.025 3.673 -10.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -9.620 3.734 -11.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -10.034 4.160 -9.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -9.398 2.620 -9.829 1.00 0.00 H new ATOM 640 N ARG A 57 -13.123 4.654 -4.238 1.00 0.00 N ATOM 641 CA ARG A 57 -12.754 5.839 -3.484 1.00 0.00 C ATOM 642 C ARG A 57 -11.332 5.699 -2.961 1.00 0.00 C ATOM 643 O ARG A 57 -11.012 4.723 -2.284 1.00 0.00 O ATOM 644 CB ARG A 57 -13.757 6.021 -2.332 1.00 0.00 C ATOM 645 CG ARG A 57 -13.674 7.348 -1.585 1.00 0.00 C ATOM 646 CD ARG A 57 -12.619 7.336 -0.489 1.00 0.00 C ATOM 647 NE ARG A 57 -12.910 8.322 0.554 1.00 0.00 N ATOM 648 CZ ARG A 57 -12.045 8.714 1.488 1.00 0.00 C ATOM 649 NH1 ARG A 57 -10.777 8.328 1.442 1.00 0.00 N ATOM 650 NH2 ARG A 57 -12.440 9.532 2.449 1.00 0.00 N ATOM 0 H ARG A 57 -13.131 3.795 -3.688 1.00 0.00 H new ATOM 0 HA ARG A 57 -12.786 6.721 -4.124 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -14.765 5.913 -2.732 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -13.610 5.212 -1.616 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -13.449 8.146 -2.293 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -14.646 7.576 -1.147 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -12.567 6.342 -0.045 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -11.641 7.543 -0.923 1.00 0.00 H new ATOM 0 HE ARG A 57 -13.841 8.738 0.566 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -10.455 7.724 0.686 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -10.124 8.635 2.163 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -13.405 9.861 2.474 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -11.780 9.834 3.165 1.00 0.00 H new ATOM 664 N LEU A 58 -10.480 6.660 -3.306 1.00 0.00 N ATOM 665 CA LEU A 58 -9.100 6.683 -2.836 1.00 0.00 C ATOM 666 C LEU A 58 -9.090 6.786 -1.313 1.00 0.00 C ATOM 667 O LEU A 58 -9.388 7.839 -0.757 1.00 0.00 O ATOM 668 CB LEU A 58 -8.361 7.873 -3.467 1.00 0.00 C ATOM 669 CG LEU A 58 -6.879 7.652 -3.796 1.00 0.00 C ATOM 670 CD1 LEU A 58 -6.347 8.794 -4.649 1.00 0.00 C ATOM 671 CD2 LEU A 58 -6.054 7.526 -2.528 1.00 0.00 C ATOM 0 H LEU A 58 -10.725 7.440 -3.916 1.00 0.00 H new ATOM 0 HA LEU A 58 -8.590 5.765 -3.130 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -8.878 8.150 -4.386 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -8.439 8.723 -2.789 1.00 0.00 H new ATOM 0 HG LEU A 58 -6.795 6.721 -4.357 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.294 8.621 -4.873 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -6.912 8.847 -5.580 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.453 9.733 -4.106 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.007 7.370 -2.789 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -6.149 8.439 -1.940 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.412 6.679 -1.943 1.00 0.00 H new ATOM 683 N VAL A 59 -8.754 5.688 -0.649 1.00 0.00 N ATOM 684 CA VAL A 59 -8.874 5.597 0.798 1.00 0.00 C ATOM 685 C VAL A 59 -7.707 6.260 1.508 1.00 0.00 C ATOM 686 O VAL A 59 -7.870 6.767 2.612 1.00 0.00 O ATOM 687 CB VAL A 59 -8.996 4.135 1.285 1.00 0.00 C ATOM 688 CG1 VAL A 59 -10.272 3.508 0.761 1.00 0.00 C ATOM 689 CG2 VAL A 59 -7.788 3.305 0.875 1.00 0.00 C ATOM 0 H VAL A 59 -8.394 4.844 -1.094 1.00 0.00 H new ATOM 0 HA VAL A 59 -9.792 6.128 1.050 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.032 4.151 2.374 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -10.343 2.479 1.113 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -11.131 4.075 1.122 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -10.262 3.519 -0.329 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -7.909 2.283 1.235 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -7.702 3.299 -0.212 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -6.886 3.737 1.308 1.00 0.00 H new ATOM 699 N ALA A 60 -6.541 6.258 0.876 1.00 0.00 N ATOM 700 CA ALA A 60 -5.352 6.827 1.488 1.00 0.00 C ATOM 701 C ALA A 60 -4.185 6.837 0.521 1.00 0.00 C ATOM 702 O ALA A 60 -4.022 5.925 -0.293 1.00 0.00 O ATOM 703 CB ALA A 60 -4.969 6.057 2.741 1.00 0.00 C ATOM 0 H ALA A 60 -6.395 5.870 -0.056 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.587 7.856 1.759 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.076 6.501 3.182 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.788 6.100 3.459 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.767 5.018 2.482 1.00 0.00 H new ATOM 709 N ILE A 61 -3.378 7.875 0.607 1.00 0.00 N ATOM 710 CA ILE A 61 -2.161 7.948 -0.166 1.00 0.00 C ATOM 711 C ILE A 61 -0.997 7.608 0.749 1.00 0.00 C ATOM 712 O ILE A 61 -0.714 8.338 1.697 1.00 0.00 O ATOM 713 CB ILE A 61 -1.932 9.344 -0.787 1.00 0.00 C ATOM 714 CG1 ILE A 61 -3.159 9.813 -1.579 1.00 0.00 C ATOM 715 CG2 ILE A 61 -0.708 9.315 -1.684 1.00 0.00 C ATOM 716 CD1 ILE A 61 -4.191 10.535 -0.737 1.00 0.00 C ATOM 0 H ILE A 61 -3.547 8.682 1.208 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.241 7.242 -0.992 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.769 10.054 0.024 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.831 10.474 -2.381 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.628 8.949 -2.050 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.552 10.302 -2.119 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.167 9.035 -1.097 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.858 8.587 -2.481 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -5.028 10.836 -1.367 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.549 9.870 0.049 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.739 11.419 -0.287 1.00 0.00 H new ATOM 728 N CYS A 62 -0.340 6.494 0.491 1.00 0.00 N ATOM 729 CA CYS A 62 0.670 6.005 1.412 1.00 0.00 C ATOM 730 C CYS A 62 2.033 5.934 0.745 1.00 0.00 C ATOM 731 O CYS A 62 2.138 5.710 -0.460 1.00 0.00 O ATOM 732 CB CYS A 62 0.272 4.630 1.954 1.00 0.00 C ATOM 733 SG CYS A 62 1.077 4.195 3.524 1.00 0.00 S ATOM 0 H CYS A 62 -0.484 5.916 -0.337 1.00 0.00 H new ATOM 0 HA CYS A 62 0.738 6.707 2.243 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -0.809 4.604 2.092 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.517 3.872 1.210 1.00 0.00 H new ATOM 738 N LYS A 63 3.071 6.138 1.534 1.00 0.00 N ATOM 739 CA LYS A 63 4.435 6.057 1.048 1.00 0.00 C ATOM 740 C LYS A 63 5.387 5.773 2.194 1.00 0.00 C ATOM 741 O LYS A 63 5.031 5.899 3.363 1.00 0.00 O ATOM 742 CB LYS A 63 4.851 7.332 0.315 1.00 0.00 C ATOM 743 CG LYS A 63 4.617 8.617 1.086 1.00 0.00 C ATOM 744 CD LYS A 63 5.285 9.784 0.383 1.00 0.00 C ATOM 745 CE LYS A 63 4.499 11.073 0.553 1.00 0.00 C ATOM 746 NZ LYS A 63 4.461 11.531 1.967 1.00 0.00 N ATOM 0 H LYS A 63 2.993 6.364 2.526 1.00 0.00 H new ATOM 0 HA LYS A 63 4.483 5.235 0.333 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.910 7.262 0.067 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.306 7.386 -0.627 1.00 0.00 H new ATOM 0 HG2 LYS A 63 3.547 8.804 1.178 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.012 8.519 2.097 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.292 9.918 0.779 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.387 9.558 -0.678 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.944 11.851 -0.066 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.480 10.924 0.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.914 12.413 2.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.012 10.801 2.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.431 11.700 2.303 1.00 0.00 H new ATOM 760 N ASN A 64 6.587 5.363 1.841 1.00 0.00 N ATOM 761 CA ASN A 64 7.587 4.986 2.823 1.00 0.00 C ATOM 762 C ASN A 64 8.289 6.224 3.369 1.00 0.00 C ATOM 763 O ASN A 64 8.376 7.239 2.674 1.00 0.00 O ATOM 764 CB ASN A 64 8.603 4.039 2.183 1.00 0.00 C ATOM 765 CG ASN A 64 9.743 3.655 3.107 1.00 0.00 C ATOM 766 OD1 ASN A 64 9.573 3.467 4.311 1.00 0.00 O ATOM 767 ND2 ASN A 64 10.926 3.576 2.547 1.00 0.00 N ATOM 0 H ASN A 64 6.897 5.281 0.873 1.00 0.00 H new ATOM 0 HA ASN A 64 7.096 4.477 3.652 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.089 3.134 1.859 1.00 0.00 H new ATOM 0 HB3 ASN A 64 9.014 4.510 1.290 1.00 0.00 H new ATOM 0 HD21 ASN A 64 11.744 3.352 3.113 1.00 0.00 H new ATOM 0 HD22 ASN A 64 11.028 3.738 1.545 1.00 0.00 H new ATOM 774 N ALA A 65 8.771 6.136 4.602 1.00 0.00 N ATOM 775 CA ALA A 65 9.464 7.246 5.251 1.00 0.00 C ATOM 776 C ALA A 65 10.609 7.768 4.387 1.00 0.00 C ATOM 777 O ALA A 65 10.732 8.971 4.149 1.00 0.00 O ATOM 778 CB ALA A 65 9.996 6.806 6.608 1.00 0.00 C ATOM 0 H ALA A 65 8.694 5.299 5.179 1.00 0.00 H new ATOM 0 HA ALA A 65 8.748 8.056 5.387 1.00 0.00 H new ATOM 0 HB1 ALA A 65 10.511 7.640 7.085 1.00 0.00 H new ATOM 0 HB2 ALA A 65 9.166 6.485 7.237 1.00 0.00 H new ATOM 0 HB3 ALA A 65 10.692 5.978 6.475 1.00 0.00 H new ATOM 784 N SER A 66 11.431 6.849 3.908 1.00 0.00 N ATOM 785 CA SER A 66 12.593 7.199 3.113 1.00 0.00 C ATOM 786 C SER A 66 12.359 6.877 1.639 1.00 0.00 C ATOM 787 O SER A 66 11.806 5.830 1.305 1.00 0.00 O ATOM 788 CB SER A 66 13.809 6.430 3.629 1.00 0.00 C ATOM 789 OG SER A 66 13.966 6.611 5.025 1.00 0.00 O ATOM 0 H SER A 66 11.312 5.847 4.058 1.00 0.00 H new ATOM 0 HA SER A 66 12.771 8.271 3.203 1.00 0.00 H new ATOM 0 HB2 SER A 66 13.695 5.369 3.406 1.00 0.00 H new ATOM 0 HB3 SER A 66 14.706 6.770 3.111 1.00 0.00 H new ATOM 0 HG SER A 66 14.749 6.109 5.334 1.00 0.00 H new ATOM 795 N PRO A 67 12.768 7.780 0.737 1.00 0.00 N ATOM 796 CA PRO A 67 12.689 7.549 -0.707 1.00 0.00 C ATOM 797 C PRO A 67 13.847 6.697 -1.228 1.00 0.00 C ATOM 798 O PRO A 67 14.045 6.576 -2.435 1.00 0.00 O ATOM 799 CB PRO A 67 12.759 8.961 -1.283 1.00 0.00 C ATOM 800 CG PRO A 67 13.572 9.732 -0.299 1.00 0.00 C ATOM 801 CD PRO A 67 13.316 9.114 1.051 1.00 0.00 C ATOM 0 HA PRO A 67 11.791 6.998 -0.988 1.00 0.00 H new ATOM 0 HB2 PRO A 67 13.224 8.964 -2.269 1.00 0.00 H new ATOM 0 HB3 PRO A 67 11.764 9.391 -1.398 1.00 0.00 H new ATOM 0 HG2 PRO A 67 14.631 9.686 -0.551 1.00 0.00 H new ATOM 0 HG3 PRO A 67 13.289 10.785 -0.303 1.00 0.00 H new ATOM 0 HD2 PRO A 67 14.233 9.041 1.636 1.00 0.00 H new ATOM 0 HD3 PRO A 67 12.612 9.707 1.634 1.00 0.00 H new ATOM 809 N VAL A 68 14.615 6.120 -0.308 1.00 0.00 N ATOM 810 CA VAL A 68 15.734 5.263 -0.674 1.00 0.00 C ATOM 811 C VAL A 68 15.462 3.827 -0.232 1.00 0.00 C ATOM 812 O VAL A 68 14.995 3.010 -1.024 1.00 0.00 O ATOM 813 CB VAL A 68 17.066 5.744 -0.065 1.00 0.00 C ATOM 814 CG1 VAL A 68 18.231 5.055 -0.754 1.00 0.00 C ATOM 815 CG2 VAL A 68 17.196 7.258 -0.163 1.00 0.00 C ATOM 0 H VAL A 68 14.481 6.232 0.697 1.00 0.00 H new ATOM 0 HA VAL A 68 15.830 5.309 -1.759 1.00 0.00 H new ATOM 0 HB VAL A 68 17.079 5.479 0.992 1.00 0.00 H new ATOM 0 HG11 VAL A 68 19.168 5.401 -0.317 1.00 0.00 H new ATOM 0 HG12 VAL A 68 18.145 3.976 -0.622 1.00 0.00 H new ATOM 0 HG13 VAL A 68 18.217 5.293 -1.818 1.00 0.00 H new ATOM 0 HG21 VAL A 68 18.144 7.571 0.274 1.00 0.00 H new ATOM 0 HG22 VAL A 68 17.162 7.559 -1.210 1.00 0.00 H new ATOM 0 HG23 VAL A 68 16.375 7.729 0.377 1.00 0.00 H new ATOM 825 N HIS A 69 15.733 3.525 1.038 1.00 0.00 N ATOM 826 CA HIS A 69 15.460 2.194 1.573 1.00 0.00 C ATOM 827 C HIS A 69 14.056 2.150 2.147 1.00 0.00 C ATOM 828 O HIS A 69 13.499 3.180 2.516 1.00 0.00 O ATOM 829 CB HIS A 69 16.454 1.801 2.668 1.00 0.00 C ATOM 830 CG HIS A 69 17.887 1.780 2.233 1.00 0.00 C ATOM 831 ND1 HIS A 69 18.519 0.635 1.799 1.00 0.00 N ATOM 832 CD2 HIS A 69 18.817 2.762 2.180 1.00 0.00 C ATOM 833 CE1 HIS A 69 19.772 0.911 1.502 1.00 0.00 C ATOM 834 NE2 HIS A 69 19.978 2.193 1.724 1.00 0.00 N ATOM 0 H HIS A 69 16.138 4.178 1.709 1.00 0.00 H new ATOM 0 HA HIS A 69 15.560 1.486 0.750 1.00 0.00 H new ATOM 0 HB2 HIS A 69 16.351 2.497 3.500 1.00 0.00 H new ATOM 0 HB3 HIS A 69 16.188 0.813 3.044 1.00 0.00 H new ATOM 0 HD2 HIS A 69 18.672 3.798 2.447 1.00 0.00 H new ATOM 0 HE1 HIS A 69 20.505 0.207 1.138 1.00 0.00 H new ATOM 0 HE2 HIS A 69 20.860 2.684 1.580 1.00 0.00 H new ATOM 843 N CYS A 70 13.508 0.954 2.260 1.00 0.00 N ATOM 844 CA CYS A 70 12.129 0.782 2.690 1.00 0.00 C ATOM 845 C CYS A 70 12.071 0.441 4.173 1.00 0.00 C ATOM 846 O CYS A 70 12.742 -0.484 4.633 1.00 0.00 O ATOM 847 CB CYS A 70 11.447 -0.316 1.866 1.00 0.00 C ATOM 848 SG CYS A 70 9.669 -0.471 2.160 1.00 0.00 S ATOM 0 H CYS A 70 13.998 0.082 2.059 1.00 0.00 H new ATOM 0 HA CYS A 70 11.598 1.720 2.529 1.00 0.00 H new ATOM 0 HB2 CYS A 70 11.612 -0.115 0.807 1.00 0.00 H new ATOM 0 HB3 CYS A 70 11.925 -1.270 2.088 1.00 0.00 H new ATOM 0 HG CYS A 70 9.062 -0.706 1.035 1.00 0.00 H new ATOM 854 N ASN A 71 11.278 1.202 4.919 1.00 0.00 N ATOM 855 CA ASN A 71 11.126 0.973 6.347 1.00 0.00 C ATOM 856 C ASN A 71 9.685 0.587 6.654 1.00 0.00 C ATOM 857 O ASN A 71 9.337 -0.592 6.655 1.00 0.00 O ATOM 858 CB ASN A 71 11.515 2.221 7.156 1.00 0.00 C ATOM 859 CG ASN A 71 12.903 2.738 6.826 1.00 0.00 C ATOM 860 OD1 ASN A 71 13.900 2.273 7.373 1.00 0.00 O ATOM 861 ND2 ASN A 71 12.971 3.728 5.948 1.00 0.00 N ATOM 0 H ASN A 71 10.731 1.983 4.556 1.00 0.00 H new ATOM 0 HA ASN A 71 11.794 0.161 6.635 1.00 0.00 H new ATOM 0 HB2 ASN A 71 10.786 3.010 6.968 1.00 0.00 H new ATOM 0 HB3 ASN A 71 11.465 1.987 8.219 1.00 0.00 H new ATOM 0 HD21 ASN A 71 13.875 4.132 5.704 1.00 0.00 H new ATOM 0 HD22 ASN A 71 12.119 4.086 5.516 1.00 0.00 H new ATOM 868 N TYR A 72 8.847 1.593 6.877 1.00 0.00 N ATOM 869 CA TYR A 72 7.434 1.385 7.158 1.00 0.00 C ATOM 870 C TYR A 72 6.605 2.358 6.331 1.00 0.00 C ATOM 871 O TYR A 72 7.148 3.268 5.704 1.00 0.00 O ATOM 872 CB TYR A 72 7.143 1.584 8.649 1.00 0.00 C ATOM 873 CG TYR A 72 7.997 0.722 9.552 1.00 0.00 C ATOM 874 CD1 TYR A 72 8.014 -0.657 9.400 1.00 0.00 C ATOM 875 CD2 TYR A 72 8.786 1.283 10.548 1.00 0.00 C ATOM 876 CE1 TYR A 72 8.794 -1.455 10.211 1.00 0.00 C ATOM 877 CE2 TYR A 72 9.570 0.490 11.366 1.00 0.00 C ATOM 878 CZ TYR A 72 9.571 -0.879 11.191 1.00 0.00 C ATOM 879 OH TYR A 72 10.353 -1.674 11.998 1.00 0.00 O ATOM 0 H TYR A 72 9.129 2.573 6.868 1.00 0.00 H new ATOM 0 HA TYR A 72 7.169 0.362 6.892 1.00 0.00 H new ATOM 0 HB2 TYR A 72 7.301 2.632 8.905 1.00 0.00 H new ATOM 0 HB3 TYR A 72 6.092 1.364 8.838 1.00 0.00 H new ATOM 0 HD1 TYR A 72 7.406 -1.114 8.633 1.00 0.00 H new ATOM 0 HD2 TYR A 72 8.787 2.354 10.686 1.00 0.00 H new ATOM 0 HE1 TYR A 72 8.795 -2.527 10.078 1.00 0.00 H new ATOM 0 HE2 TYR A 72 10.178 0.939 12.137 1.00 0.00 H new ATOM 0 HH TYR A 72 10.840 -1.113 12.637 1.00 0.00 H new ATOM 889 N LEU A 73 5.295 2.185 6.346 1.00 0.00 N ATOM 890 CA LEU A 73 4.424 2.970 5.485 1.00 0.00 C ATOM 891 C LEU A 73 3.707 4.072 6.250 1.00 0.00 C ATOM 892 O LEU A 73 2.971 3.810 7.205 1.00 0.00 O ATOM 893 CB LEU A 73 3.398 2.073 4.790 1.00 0.00 C ATOM 894 CG LEU A 73 3.967 1.116 3.743 1.00 0.00 C ATOM 895 CD1 LEU A 73 2.839 0.397 3.018 1.00 0.00 C ATOM 896 CD2 LEU A 73 4.848 1.871 2.758 1.00 0.00 C ATOM 0 H LEU A 73 4.812 1.512 6.941 1.00 0.00 H new ATOM 0 HA LEU A 73 5.060 3.440 4.735 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.879 1.487 5.549 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.652 2.707 4.311 1.00 0.00 H new ATOM 0 HG LEU A 73 4.581 0.370 4.247 1.00 0.00 H new ATOM 0 HD11 LEU A 73 3.258 -0.281 2.275 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.249 -0.172 3.737 1.00 0.00 H new ATOM 0 HD13 LEU A 73 2.201 1.128 2.522 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.246 1.176 2.019 1.00 0.00 H new ATOM 0 HD22 LEU A 73 4.258 2.637 2.255 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.672 2.342 3.294 1.00 0.00 H new ATOM 908 N LYS A 74 3.942 5.305 5.823 1.00 0.00 N ATOM 909 CA LYS A 74 3.231 6.459 6.348 1.00 0.00 C ATOM 910 C LYS A 74 2.173 6.892 5.345 1.00 0.00 C ATOM 911 O LYS A 74 2.498 7.394 4.266 1.00 0.00 O ATOM 912 CB LYS A 74 4.188 7.625 6.623 1.00 0.00 C ATOM 913 CG LYS A 74 4.873 7.574 7.983 1.00 0.00 C ATOM 914 CD LYS A 74 5.839 6.405 8.108 1.00 0.00 C ATOM 915 CE LYS A 74 6.496 6.378 9.480 1.00 0.00 C ATOM 916 NZ LYS A 74 5.488 6.322 10.571 1.00 0.00 N ATOM 0 H LYS A 74 4.630 5.532 5.104 1.00 0.00 H new ATOM 0 HA LYS A 74 2.763 6.177 7.291 1.00 0.00 H new ATOM 0 HB2 LYS A 74 4.952 7.642 5.846 1.00 0.00 H new ATOM 0 HB3 LYS A 74 3.633 8.560 6.545 1.00 0.00 H new ATOM 0 HG2 LYS A 74 5.413 8.506 8.149 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.116 7.501 8.764 1.00 0.00 H new ATOM 0 HD2 LYS A 74 5.306 5.470 7.939 1.00 0.00 H new ATOM 0 HD3 LYS A 74 6.605 6.479 7.336 1.00 0.00 H new ATOM 0 HE2 LYS A 74 7.157 5.514 9.550 1.00 0.00 H new ATOM 0 HE3 LYS A 74 7.117 7.265 9.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 5.954 6.051 11.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 5.045 7.256 10.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 4.759 5.619 10.334 1.00 0.00 H new ATOM 930 N CYS A 75 0.917 6.674 5.678 1.00 0.00 N ATOM 931 CA CYS A 75 -0.165 7.007 4.771 1.00 0.00 C ATOM 932 C CYS A 75 -0.851 8.290 5.210 1.00 0.00 C ATOM 933 O CYS A 75 -0.953 8.571 6.405 1.00 0.00 O ATOM 934 CB CYS A 75 -1.181 5.874 4.730 1.00 0.00 C ATOM 935 SG CYS A 75 -0.451 4.203 4.864 1.00 0.00 S ATOM 0 H CYS A 75 0.620 6.269 6.566 1.00 0.00 H new ATOM 0 HA CYS A 75 0.254 7.152 3.775 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -1.895 6.012 5.542 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -1.742 5.939 3.798 1.00 0.00 H new ATOM 940 N THR A 76 -1.320 9.060 4.248 1.00 0.00 N ATOM 941 CA THR A 76 -1.996 10.308 4.535 1.00 0.00 C ATOM 942 C THR A 76 -3.417 10.277 3.977 1.00 0.00 C ATOM 943 O THR A 76 -3.702 9.534 3.032 1.00 0.00 O ATOM 944 CB THR A 76 -1.221 11.518 3.959 1.00 0.00 C ATOM 945 OG1 THR A 76 -1.782 12.744 4.443 1.00 0.00 O ATOM 946 CG2 THR A 76 -1.249 11.520 2.435 1.00 0.00 C ATOM 0 H THR A 76 -1.244 8.841 3.255 1.00 0.00 H new ATOM 0 HA THR A 76 -2.039 10.424 5.618 1.00 0.00 H new ATOM 0 HB THR A 76 -0.186 11.432 4.289 1.00 0.00 H new ATOM 0 HG1 THR A 76 -1.282 13.501 4.073 1.00 0.00 H new ATOM 0 HG21 THR A 76 -0.696 12.382 2.062 1.00 0.00 H new ATOM 0 HG22 THR A 76 -0.789 10.605 2.061 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.282 11.574 2.090 1.00 0.00 H new ATOM 954 N ASN A 77 -4.294 11.083 4.573 1.00 0.00 N ATOM 955 CA ASN A 77 -5.705 11.145 4.184 1.00 0.00 C ATOM 956 C ASN A 77 -6.339 9.761 4.281 1.00 0.00 C ATOM 957 O ASN A 77 -6.895 9.244 3.315 1.00 0.00 O ATOM 958 CB ASN A 77 -5.853 11.715 2.768 1.00 0.00 C ATOM 959 CG ASN A 77 -7.264 12.197 2.458 1.00 0.00 C ATOM 960 OD1 ASN A 77 -8.254 11.669 2.963 1.00 0.00 O ATOM 961 ND2 ASN A 77 -7.360 13.222 1.631 1.00 0.00 N ATOM 0 H ASN A 77 -4.049 11.711 5.338 1.00 0.00 H new ATOM 0 HA ASN A 77 -6.226 11.813 4.870 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -5.157 12.545 2.643 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -5.570 10.950 2.044 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -8.277 13.601 1.392 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -6.518 13.635 1.231 1.00 0.00 H new ATOM 968 N LEU A 78 -6.228 9.167 5.462 1.00 0.00 N ATOM 969 CA LEU A 78 -6.777 7.836 5.722 1.00 0.00 C ATOM 970 C LEU A 78 -8.302 7.860 5.692 1.00 0.00 C ATOM 971 O LEU A 78 -8.923 8.872 6.033 1.00 0.00 O ATOM 972 CB LEU A 78 -6.299 7.315 7.082 1.00 0.00 C ATOM 973 CG LEU A 78 -4.794 7.086 7.201 1.00 0.00 C ATOM 974 CD1 LEU A 78 -4.417 6.756 8.636 1.00 0.00 C ATOM 975 CD2 LEU A 78 -4.353 5.967 6.274 1.00 0.00 C ATOM 0 H LEU A 78 -5.759 9.588 6.264 1.00 0.00 H new ATOM 0 HA LEU A 78 -6.421 7.169 4.937 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.604 8.024 7.852 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.811 6.376 7.293 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.284 8.004 6.909 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.341 6.596 8.702 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -4.701 7.583 9.286 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -4.938 5.852 8.950 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.278 5.817 6.371 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -4.874 5.047 6.541 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.591 6.233 5.244 1.00 0.00 H new ATOM 987 N ALA A 79 -8.905 6.748 5.292 1.00 0.00 N ATOM 988 CA ALA A 79 -10.355 6.657 5.221 1.00 0.00 C ATOM 989 C ALA A 79 -10.895 5.875 6.405 1.00 0.00 C ATOM 990 O ALA A 79 -10.937 4.648 6.373 1.00 0.00 O ATOM 991 CB ALA A 79 -10.787 6.011 3.912 1.00 0.00 C ATOM 0 H ALA A 79 -8.413 5.899 5.013 1.00 0.00 H new ATOM 0 HA ALA A 79 -10.766 7.666 5.257 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -11.875 5.952 3.877 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -10.429 6.611 3.075 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.367 5.008 3.845 1.00 0.00 H new ATOM 997 N ALA A 80 -11.287 6.599 7.451 1.00 0.00 N ATOM 998 CA ALA A 80 -11.808 5.999 8.680 1.00 0.00 C ATOM 999 C ALA A 80 -10.764 5.104 9.347 1.00 0.00 C ATOM 1000 O ALA A 80 -10.021 5.548 10.225 1.00 0.00 O ATOM 1001 CB ALA A 80 -13.094 5.225 8.406 1.00 0.00 C ATOM 0 H ALA A 80 -11.253 7.618 7.472 1.00 0.00 H new ATOM 0 HA ALA A 80 -12.041 6.809 9.371 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -13.461 4.789 9.335 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -13.846 5.901 8.001 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -12.894 4.431 7.686 1.00 0.00 H new ATOM 1007 N GLY A 81 -10.702 3.853 8.914 1.00 0.00 N ATOM 1008 CA GLY A 81 -9.734 2.920 9.452 1.00 0.00 C ATOM 1009 C GLY A 81 -8.955 2.216 8.359 1.00 0.00 C ATOM 1010 O GLY A 81 -8.152 1.324 8.635 1.00 0.00 O ATOM 0 H GLY A 81 -11.311 3.465 8.193 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -9.042 3.452 10.105 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -10.247 2.180 10.066 1.00 0.00 H new ATOM 1014 N PHE A 82 -9.192 2.611 7.114 1.00 0.00 N ATOM 1015 CA PHE A 82 -8.504 2.004 5.985 1.00 0.00 C ATOM 1016 C PHE A 82 -7.117 2.611 5.831 1.00 0.00 C ATOM 1017 O PHE A 82 -6.976 3.827 5.645 1.00 0.00 O ATOM 1018 CB PHE A 82 -9.312 2.182 4.697 1.00 0.00 C ATOM 1019 CG PHE A 82 -10.719 1.663 4.801 1.00 0.00 C ATOM 1020 CD1 PHE A 82 -10.967 0.369 5.227 1.00 0.00 C ATOM 1021 CD2 PHE A 82 -11.792 2.476 4.485 1.00 0.00 C ATOM 1022 CE1 PHE A 82 -12.261 -0.103 5.332 1.00 0.00 C ATOM 1023 CE2 PHE A 82 -13.088 2.011 4.589 1.00 0.00 C ATOM 1024 CZ PHE A 82 -13.323 0.718 5.013 1.00 0.00 C ATOM 0 H PHE A 82 -9.853 3.346 6.863 1.00 0.00 H new ATOM 0 HA PHE A 82 -8.402 0.936 6.176 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -9.341 3.240 4.438 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -8.802 1.668 3.882 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -10.140 -0.278 5.480 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -11.614 3.488 4.152 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -12.441 -1.115 5.664 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -13.916 2.657 4.339 1.00 0.00 H new ATOM 0 HZ PHE A 82 -14.335 0.350 5.095 1.00 0.00 H new ATOM 1034 N SER A 83 -6.105 1.756 5.914 1.00 0.00 N ATOM 1035 CA SER A 83 -4.719 2.187 5.872 1.00 0.00 C ATOM 1036 C SER A 83 -3.859 1.072 5.301 1.00 0.00 C ATOM 1037 O SER A 83 -4.354 -0.012 5.004 1.00 0.00 O ATOM 1038 CB SER A 83 -4.235 2.562 7.279 1.00 0.00 C ATOM 1039 OG SER A 83 -2.887 3.005 7.273 1.00 0.00 O ATOM 0 H SER A 83 -6.225 0.748 6.012 1.00 0.00 H new ATOM 0 HA SER A 83 -4.637 3.067 5.234 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.873 3.346 7.686 1.00 0.00 H new ATOM 0 HB3 SER A 83 -4.331 1.699 7.938 1.00 0.00 H new ATOM 0 HG SER A 83 -2.615 3.236 8.186 1.00 0.00 H new ATOM 1045 N ALA A 84 -2.578 1.335 5.168 1.00 0.00 N ATOM 1046 CA ALA A 84 -1.657 0.372 4.585 1.00 0.00 C ATOM 1047 C ALA A 84 -0.881 -0.344 5.682 1.00 0.00 C ATOM 1048 O ALA A 84 -0.770 0.157 6.803 1.00 0.00 O ATOM 1049 CB ALA A 84 -0.707 1.058 3.616 1.00 0.00 C ATOM 0 H ALA A 84 -2.144 2.212 5.456 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.233 -0.367 4.029 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -0.026 0.321 3.191 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.280 1.527 2.816 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -0.133 1.818 4.146 1.00 0.00 H new ATOM 1055 N GLY A 85 -0.329 -1.503 5.348 1.00 0.00 N ATOM 1056 CA GLY A 85 0.274 -2.356 6.358 1.00 0.00 C ATOM 1057 C GLY A 85 1.772 -2.545 6.193 1.00 0.00 C ATOM 1058 O GLY A 85 2.550 -2.133 7.052 1.00 0.00 O ATOM 0 H GLY A 85 -0.287 -1.869 4.397 1.00 0.00 H new ATOM 0 HA2 GLY A 85 0.078 -1.931 7.342 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.210 -3.332 6.331 1.00 0.00 H new ATOM 1062 N THR A 86 2.183 -3.172 5.099 1.00 0.00 N ATOM 1063 CA THR A 86 3.582 -3.532 4.916 1.00 0.00 C ATOM 1064 C THR A 86 3.858 -3.894 3.454 1.00 0.00 C ATOM 1065 O THR A 86 3.014 -3.673 2.582 1.00 0.00 O ATOM 1066 CB THR A 86 3.962 -4.716 5.845 1.00 0.00 C ATOM 1067 OG1 THR A 86 5.367 -4.995 5.764 1.00 0.00 O ATOM 1068 CG2 THR A 86 3.172 -5.972 5.495 1.00 0.00 C ATOM 0 H THR A 86 1.571 -3.441 4.329 1.00 0.00 H new ATOM 0 HA THR A 86 4.196 -2.671 5.180 1.00 0.00 H new ATOM 0 HB THR A 86 3.713 -4.421 6.864 1.00 0.00 H new ATOM 0 HG1 THR A 86 5.868 -4.153 5.752 1.00 0.00 H new ATOM 0 HG21 THR A 86 3.462 -6.782 6.164 1.00 0.00 H new ATOM 0 HG22 THR A 86 2.106 -5.774 5.606 1.00 0.00 H new ATOM 0 HG23 THR A 86 3.383 -6.259 4.465 1.00 0.00 H new ATOM 1076 N SER A 87 5.036 -4.442 3.196 1.00 0.00 N ATOM 1077 CA SER A 87 5.443 -4.822 1.855 1.00 0.00 C ATOM 1078 C SER A 87 6.271 -6.106 1.897 1.00 0.00 C ATOM 1079 O SER A 87 7.035 -6.326 2.835 1.00 0.00 O ATOM 1080 CB SER A 87 6.230 -3.678 1.213 1.00 0.00 C ATOM 1081 OG SER A 87 7.144 -3.109 2.134 1.00 0.00 O ATOM 0 H SER A 87 5.736 -4.635 3.912 1.00 0.00 H new ATOM 0 HA SER A 87 4.558 -5.015 1.249 1.00 0.00 H new ATOM 0 HB2 SER A 87 6.770 -4.048 0.341 1.00 0.00 H new ATOM 0 HB3 SER A 87 5.540 -2.911 0.859 1.00 0.00 H new ATOM 0 HG SER A 87 7.650 -2.395 1.694 1.00 0.00 H new ATOM 1087 N THR A 88 6.108 -6.950 0.885 1.00 0.00 N ATOM 1088 CA THR A 88 6.758 -8.258 0.851 1.00 0.00 C ATOM 1089 C THR A 88 7.265 -8.572 -0.551 1.00 0.00 C ATOM 1090 O THR A 88 7.544 -7.659 -1.328 1.00 0.00 O ATOM 1091 CB THR A 88 5.785 -9.365 1.289 1.00 0.00 C ATOM 1092 OG1 THR A 88 4.579 -9.292 0.516 1.00 0.00 O ATOM 1093 CG2 THR A 88 5.456 -9.257 2.771 1.00 0.00 C ATOM 0 H THR A 88 5.527 -6.751 0.071 1.00 0.00 H new ATOM 0 HA THR A 88 7.600 -8.223 1.543 1.00 0.00 H new ATOM 0 HB THR A 88 6.269 -10.326 1.118 1.00 0.00 H new ATOM 0 HG1 THR A 88 4.518 -10.075 -0.070 1.00 0.00 H new ATOM 0 HG21 THR A 88 4.766 -10.054 3.050 1.00 0.00 H new ATOM 0 HG22 THR A 88 6.372 -9.350 3.355 1.00 0.00 H new ATOM 0 HG23 THR A 88 4.994 -8.290 2.972 1.00 0.00 H new ATOM 1101 N ASP A 89 7.401 -9.870 -0.850 1.00 0.00 N ATOM 1102 CA ASP A 89 7.760 -10.360 -2.188 1.00 0.00 C ATOM 1103 C ASP A 89 9.161 -9.926 -2.609 1.00 0.00 C ATOM 1104 O ASP A 89 10.097 -10.717 -2.561 1.00 0.00 O ATOM 1105 CB ASP A 89 6.723 -9.906 -3.220 1.00 0.00 C ATOM 1106 CG ASP A 89 7.093 -10.276 -4.644 1.00 0.00 C ATOM 1107 OD1 ASP A 89 6.792 -11.405 -5.066 1.00 0.00 O ATOM 1108 OD2 ASP A 89 7.661 -9.424 -5.355 1.00 0.00 O ATOM 0 H ASP A 89 7.264 -10.615 -0.167 1.00 0.00 H new ATOM 0 HA ASP A 89 7.764 -11.449 -2.141 1.00 0.00 H new ATOM 0 HB2 ASP A 89 5.758 -10.350 -2.975 1.00 0.00 H new ATOM 0 HB3 ASP A 89 6.602 -8.825 -3.152 1.00 0.00 H new ATOM 1113 N VAL A 90 9.305 -8.668 -2.991 1.00 0.00 N ATOM 1114 CA VAL A 90 10.570 -8.157 -3.487 1.00 0.00 C ATOM 1115 C VAL A 90 11.608 -8.036 -2.375 1.00 0.00 C ATOM 1116 O VAL A 90 12.762 -8.419 -2.553 1.00 0.00 O ATOM 1117 CB VAL A 90 10.386 -6.799 -4.195 1.00 0.00 C ATOM 1118 CG1 VAL A 90 9.952 -7.010 -5.634 1.00 0.00 C ATOM 1119 CG2 VAL A 90 9.362 -5.943 -3.462 1.00 0.00 C ATOM 0 H VAL A 90 8.554 -7.978 -2.966 1.00 0.00 H new ATOM 0 HA VAL A 90 10.939 -8.880 -4.214 1.00 0.00 H new ATOM 0 HB VAL A 90 11.343 -6.277 -4.186 1.00 0.00 H new ATOM 0 HG11 VAL A 90 9.826 -6.043 -6.121 1.00 0.00 H new ATOM 0 HG12 VAL A 90 10.711 -7.586 -6.162 1.00 0.00 H new ATOM 0 HG13 VAL A 90 9.007 -7.552 -5.653 1.00 0.00 H new ATOM 0 HG21 VAL A 90 9.248 -4.990 -3.978 1.00 0.00 H new ATOM 0 HG22 VAL A 90 8.403 -6.461 -3.441 1.00 0.00 H new ATOM 0 HG23 VAL A 90 9.701 -5.764 -2.441 1.00 0.00 H new ATOM 1129 N LEU A 91 11.195 -7.510 -1.233 1.00 0.00 N ATOM 1130 CA LEU A 91 12.096 -7.378 -0.093 1.00 0.00 C ATOM 1131 C LEU A 91 12.064 -8.629 0.780 1.00 0.00 C ATOM 1132 O LEU A 91 13.006 -8.900 1.521 1.00 0.00 O ATOM 1133 CB LEU A 91 11.744 -6.130 0.723 1.00 0.00 C ATOM 1134 CG LEU A 91 10.333 -6.098 1.318 1.00 0.00 C ATOM 1135 CD1 LEU A 91 10.315 -6.676 2.725 1.00 0.00 C ATOM 1136 CD2 LEU A 91 9.799 -4.678 1.312 1.00 0.00 C ATOM 0 H LEU A 91 10.248 -7.169 -1.068 1.00 0.00 H new ATOM 0 HA LEU A 91 13.112 -7.266 -0.471 1.00 0.00 H new ATOM 0 HB2 LEU A 91 12.463 -6.036 1.537 1.00 0.00 H new ATOM 0 HB3 LEU A 91 11.869 -5.255 0.085 1.00 0.00 H new ATOM 0 HG LEU A 91 9.686 -6.720 0.699 1.00 0.00 H new ATOM 0 HD11 LEU A 91 9.300 -6.639 3.120 1.00 0.00 H new ATOM 0 HD12 LEU A 91 10.657 -7.711 2.698 1.00 0.00 H new ATOM 0 HD13 LEU A 91 10.975 -6.093 3.366 1.00 0.00 H new ATOM 0 HD21 LEU A 91 8.795 -4.665 1.737 1.00 0.00 H new ATOM 0 HD22 LEU A 91 10.453 -4.041 1.907 1.00 0.00 H new ATOM 0 HD23 LEU A 91 9.764 -4.307 0.288 1.00 0.00 H new ATOM 1148 N SER A 92 10.971 -9.380 0.701 1.00 0.00 N ATOM 1149 CA SER A 92 10.835 -10.602 1.483 1.00 0.00 C ATOM 1150 C SER A 92 11.497 -11.782 0.766 1.00 0.00 C ATOM 1151 O SER A 92 12.614 -12.178 1.110 1.00 0.00 O ATOM 1152 CB SER A 92 9.349 -10.883 1.746 1.00 0.00 C ATOM 1153 OG SER A 92 9.143 -12.167 2.303 1.00 0.00 O ATOM 0 H SER A 92 10.170 -9.165 0.106 1.00 0.00 H new ATOM 0 HA SER A 92 11.342 -10.470 2.439 1.00 0.00 H new ATOM 0 HB2 SER A 92 8.951 -10.126 2.422 1.00 0.00 H new ATOM 0 HB3 SER A 92 8.793 -10.800 0.812 1.00 0.00 H new ATOM 0 HG SER A 92 8.185 -12.307 2.457 1.00 0.00 H new ATOM 1159 N SER A 93 10.810 -12.303 -0.246 1.00 0.00 N ATOM 1160 CA SER A 93 11.288 -13.427 -1.051 1.00 0.00 C ATOM 1161 C SER A 93 10.189 -13.830 -2.028 1.00 0.00 C ATOM 1162 O SER A 93 10.367 -13.772 -3.247 1.00 0.00 O ATOM 1163 CB SER A 93 11.671 -14.626 -0.170 1.00 0.00 C ATOM 1164 OG SER A 93 12.214 -15.687 -0.944 1.00 0.00 O ATOM 0 H SER A 93 9.896 -11.955 -0.535 1.00 0.00 H new ATOM 0 HA SER A 93 12.182 -13.117 -1.592 1.00 0.00 H new ATOM 0 HB2 SER A 93 12.398 -14.311 0.579 1.00 0.00 H new ATOM 0 HB3 SER A 93 10.791 -14.980 0.368 1.00 0.00 H new ATOM 0 HG SER A 93 12.449 -16.434 -0.355 1.00 0.00 H new ATOM 1170 N GLY A 94 9.048 -14.222 -1.477 1.00 0.00 N ATOM 1171 CA GLY A 94 7.900 -14.561 -2.288 1.00 0.00 C ATOM 1172 C GLY A 94 6.626 -14.573 -1.470 1.00 0.00 C ATOM 1173 O GLY A 94 6.585 -15.162 -0.392 1.00 0.00 O ATOM 0 H GLY A 94 8.899 -14.311 -0.472 1.00 0.00 H new ATOM 0 HA2 GLY A 94 7.804 -13.843 -3.102 1.00 0.00 H new ATOM 0 HA3 GLY A 94 8.051 -15.540 -2.743 1.00 0.00 H new ATOM 1177 N THR A 95 5.593 -13.911 -1.970 1.00 0.00 N ATOM 1178 CA THR A 95 4.310 -13.850 -1.283 1.00 0.00 C ATOM 1179 C THR A 95 3.164 -13.852 -2.291 1.00 0.00 C ATOM 1180 O THR A 95 3.131 -13.012 -3.194 1.00 0.00 O ATOM 1181 CB THR A 95 4.191 -12.590 -0.400 1.00 0.00 C ATOM 1182 OG1 THR A 95 4.627 -11.435 -1.129 1.00 0.00 O ATOM 1183 CG2 THR A 95 5.004 -12.728 0.875 1.00 0.00 C ATOM 0 H THR A 95 5.619 -13.405 -2.855 1.00 0.00 H new ATOM 0 HA THR A 95 4.250 -14.732 -0.645 1.00 0.00 H new ATOM 0 HB THR A 95 3.143 -12.474 -0.124 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.190 -11.418 -2.006 1.00 0.00 H new ATOM 0 HG21 THR A 95 4.898 -11.823 1.474 1.00 0.00 H new ATOM 0 HG22 THR A 95 4.644 -13.585 1.445 1.00 0.00 H new ATOM 0 HG23 THR A 95 6.054 -12.875 0.623 1.00 0.00 H new ATOM 1191 N VAL A 96 2.238 -14.791 -2.147 1.00 0.00 N ATOM 1192 CA VAL A 96 1.069 -14.847 -3.018 1.00 0.00 C ATOM 1193 C VAL A 96 0.021 -13.825 -2.576 1.00 0.00 C ATOM 1194 O VAL A 96 -0.886 -14.124 -1.795 1.00 0.00 O ATOM 1195 CB VAL A 96 0.447 -16.266 -3.082 1.00 0.00 C ATOM 1196 CG1 VAL A 96 1.326 -17.199 -3.898 1.00 0.00 C ATOM 1197 CG2 VAL A 96 0.228 -16.844 -1.690 1.00 0.00 C ATOM 0 H VAL A 96 2.272 -15.523 -1.437 1.00 0.00 H new ATOM 0 HA VAL A 96 1.408 -14.599 -4.024 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.524 -16.175 -3.568 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.873 -18.190 -3.931 1.00 0.00 H new ATOM 0 HG12 VAL A 96 1.425 -16.811 -4.912 1.00 0.00 H new ATOM 0 HG13 VAL A 96 2.311 -17.266 -3.437 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -0.209 -17.839 -1.774 1.00 0.00 H new ATOM 0 HG22 VAL A 96 1.183 -16.910 -1.169 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.447 -16.197 -1.130 1.00 0.00 H new ATOM 1207 N GLY A 97 0.154 -12.609 -3.082 1.00 0.00 N ATOM 1208 CA GLY A 97 -0.715 -11.533 -2.660 1.00 0.00 C ATOM 1209 C GLY A 97 -1.650 -11.071 -3.758 1.00 0.00 C ATOM 1210 O GLY A 97 -1.988 -11.841 -4.660 1.00 0.00 O ATOM 0 H GLY A 97 0.851 -12.348 -3.780 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -1.303 -11.861 -1.803 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -0.108 -10.691 -2.327 1.00 0.00 H new ATOM 1214 N SER A 98 -2.050 -9.810 -3.675 1.00 0.00 N ATOM 1215 CA SER A 98 -2.998 -9.211 -4.600 1.00 0.00 C ATOM 1216 C SER A 98 -3.261 -7.779 -4.157 1.00 0.00 C ATOM 1217 O SER A 98 -3.846 -6.997 -4.936 1.00 0.00 O ATOM 1218 CB SER A 98 -4.308 -10.010 -4.648 1.00 0.00 C ATOM 1219 OG SER A 98 -4.775 -10.318 -3.342 1.00 0.00 O ATOM 1220 OXT SER A 98 -2.854 -7.443 -3.020 1.00 0.00 O ATOM 0 H SER A 98 -1.721 -9.168 -2.954 1.00 0.00 H new ATOM 0 HA SER A 98 -2.578 -9.220 -5.606 1.00 0.00 H new ATOM 0 HB2 SER A 98 -5.066 -9.437 -5.182 1.00 0.00 H new ATOM 0 HB3 SER A 98 -4.153 -10.932 -5.208 1.00 0.00 H new ATOM 0 HG SER A 98 -5.611 -10.826 -3.405 1.00 0.00 H new TER 1226 SER A 98