USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=18 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 23 CYS SG : rot 170:sc= -0.0919 USER MOD Set 1.2: A 25 HIS : no HE2:sc= -0.644 K(o=-0.41,f=-2.3!) USER MOD Set 1.3: A 87 SER OG : rot -159:sc= 0.327 USER MOD Set 2.1: A 29 TYR OH : rot 180:sc= 0.478 USER MOD Set 2.2: A 51 LYS NZ :NH3+ -133:sc= 1.73 (180deg=1.04) USER MOD Set 3.1: A 24 ASN : amide:sc= -7.93! C(o=-8!,f=-5.6!) USER MOD Set 3.2: A 26 HIS : no HD1:sc= 1.14 K(o=-8,f=-17!) USER MOD Set 3.3: A 36 THR OG1 : rot -9:sc= -2.32! USER MOD Set 3.4: A 88 THR OG1 : rot -95:sc= 1.14 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -3.52! K(o=-3.5!,f=-1.4) USER MOD Single : A 30 ASN : amide:sc= 0 K(o=0,f=-2.2) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 39 LYS NZ :NH3+ 137:sc= 0.401 (180deg=0.000451) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -1.92 K(o=-1.9,f=-0.66) USER MOD Single : A 56 LYS NZ :NH3+ 167:sc= 1.25 (180deg=0.647) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= 0.0832 K(o=0.083,f=-7.4!) USER MOD Single : A 66 SER OG : rot 160:sc= 0.457 USER MOD Single : A 69 HIS : no HD1:sc= -0.234 X(o=-0.23,f=-0.012) USER MOD Single : A 70 CYS SG : rot 90:sc= -1.82 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.25) 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= -1.93! K(o=-1.9!,f=-0.9) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.138 USER MOD Single : A 92 SER OG : rot 180:sc= -0.0467 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 19 19.779 -1.300 -2.549 1.00 0.00 N ATOM 2 CA SER A 19 19.764 0.123 -2.157 1.00 0.00 C ATOM 3 C SER A 19 18.371 0.712 -2.367 1.00 0.00 C ATOM 4 O SER A 19 17.546 0.707 -1.453 1.00 0.00 O ATOM 5 CB SER A 19 20.812 0.903 -2.957 1.00 0.00 C ATOM 6 OG SER A 19 20.897 2.252 -2.530 1.00 0.00 O ATOM 0 HA SER A 19 20.013 0.202 -1.099 1.00 0.00 H new ATOM 0 HB2 SER A 19 21.785 0.424 -2.847 1.00 0.00 H new ATOM 0 HB3 SER A 19 20.559 0.872 -4.017 1.00 0.00 H new ATOM 0 HG SER A 19 21.576 2.721 -3.059 1.00 0.00 H new ATOM 14 N PHE A 20 18.098 1.200 -3.569 1.00 0.00 N ATOM 15 CA PHE A 20 16.776 1.705 -3.896 1.00 0.00 C ATOM 16 C PHE A 20 15.893 0.549 -4.342 1.00 0.00 C ATOM 17 O PHE A 20 16.249 -0.223 -5.232 1.00 0.00 O ATOM 18 CB PHE A 20 16.840 2.810 -4.965 1.00 0.00 C ATOM 19 CG PHE A 20 17.320 2.359 -6.319 1.00 0.00 C ATOM 20 CD1 PHE A 20 18.511 1.675 -6.450 1.00 0.00 C ATOM 21 CD2 PHE A 20 16.582 2.636 -7.459 1.00 0.00 C ATOM 22 CE1 PHE A 20 18.965 1.268 -7.689 1.00 0.00 C ATOM 23 CE2 PHE A 20 17.028 2.231 -8.703 1.00 0.00 C ATOM 24 CZ PHE A 20 18.220 1.546 -8.818 1.00 0.00 C ATOM 0 H PHE A 20 18.774 1.256 -4.331 1.00 0.00 H new ATOM 0 HA PHE A 20 16.342 2.160 -3.005 1.00 0.00 H new ATOM 0 HB2 PHE A 20 15.847 3.246 -5.075 1.00 0.00 H new ATOM 0 HB3 PHE A 20 17.498 3.602 -4.608 1.00 0.00 H new ATOM 0 HD1 PHE A 20 19.097 1.455 -5.570 1.00 0.00 H new ATOM 0 HD2 PHE A 20 15.649 3.174 -7.374 1.00 0.00 H new ATOM 0 HE1 PHE A 20 19.900 0.734 -7.775 1.00 0.00 H new ATOM 0 HE2 PHE A 20 16.444 2.451 -9.584 1.00 0.00 H new ATOM 0 HZ PHE A 20 18.570 1.228 -9.789 1.00 0.00 H new ATOM 34 N VAL A 21 14.758 0.419 -3.693 1.00 0.00 N ATOM 35 CA VAL A 21 13.893 -0.728 -3.895 1.00 0.00 C ATOM 36 C VAL A 21 12.436 -0.314 -4.092 1.00 0.00 C ATOM 37 O VAL A 21 11.944 0.616 -3.449 1.00 0.00 O ATOM 38 CB VAL A 21 14.028 -1.711 -2.706 1.00 0.00 C ATOM 39 CG1 VAL A 21 13.958 -0.955 -1.394 1.00 0.00 C ATOM 40 CG2 VAL A 21 12.965 -2.800 -2.748 1.00 0.00 C ATOM 0 H VAL A 21 14.408 1.097 -3.016 1.00 0.00 H new ATOM 0 HA VAL A 21 14.211 -1.230 -4.809 1.00 0.00 H new ATOM 0 HB VAL A 21 14.999 -2.199 -2.788 1.00 0.00 H new ATOM 0 HG11 VAL A 21 14.054 -1.656 -0.565 1.00 0.00 H new ATOM 0 HG12 VAL A 21 14.768 -0.227 -1.350 1.00 0.00 H new ATOM 0 HG13 VAL A 21 13.001 -0.438 -1.323 1.00 0.00 H new ATOM 0 HG21 VAL A 21 13.095 -3.468 -1.897 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.976 -2.345 -2.704 1.00 0.00 H new ATOM 0 HG23 VAL A 21 13.062 -3.368 -3.673 1.00 0.00 H new ATOM 50 N GLN A 22 11.775 -0.985 -5.021 1.00 0.00 N ATOM 51 CA GLN A 22 10.347 -0.817 -5.234 1.00 0.00 C ATOM 52 C GLN A 22 9.613 -1.986 -4.588 1.00 0.00 C ATOM 53 O GLN A 22 10.101 -3.114 -4.621 1.00 0.00 O ATOM 54 CB GLN A 22 10.045 -0.714 -6.738 1.00 0.00 C ATOM 55 CG GLN A 22 10.653 -1.832 -7.579 1.00 0.00 C ATOM 56 CD GLN A 22 9.741 -3.037 -7.727 1.00 0.00 C ATOM 57 OE1 GLN A 22 10.202 -4.173 -7.814 1.00 0.00 O ATOM 58 NE2 GLN A 22 8.444 -2.795 -7.807 1.00 0.00 N ATOM 0 H GLN A 22 12.212 -1.660 -5.648 1.00 0.00 H new ATOM 0 HA GLN A 22 10.002 0.108 -4.772 1.00 0.00 H new ATOM 0 HB2 GLN A 22 8.964 -0.715 -6.880 1.00 0.00 H new ATOM 0 HB3 GLN A 22 10.414 0.243 -7.106 1.00 0.00 H new ATOM 0 HG2 GLN A 22 10.893 -1.443 -8.569 1.00 0.00 H new ATOM 0 HG3 GLN A 22 11.592 -2.149 -7.125 1.00 0.00 H new ATOM 0 HE21 GLN A 22 8.098 -1.839 -7.730 1.00 0.00 H new ATOM 0 HE22 GLN A 22 7.789 -3.565 -7.945 1.00 0.00 H new ATOM 67 N CYS A 23 8.460 -1.730 -3.990 1.00 0.00 N ATOM 68 CA CYS A 23 7.795 -2.760 -3.207 1.00 0.00 C ATOM 69 C CYS A 23 6.278 -2.699 -3.340 1.00 0.00 C ATOM 70 O CYS A 23 5.694 -1.639 -3.555 1.00 0.00 O ATOM 71 CB CYS A 23 8.200 -2.635 -1.736 1.00 0.00 C ATOM 72 SG CYS A 23 7.823 -1.032 -0.989 1.00 0.00 S ATOM 0 H CYS A 23 7.972 -0.835 -4.030 1.00 0.00 H new ATOM 0 HA CYS A 23 8.114 -3.726 -3.598 1.00 0.00 H new ATOM 0 HB2 CYS A 23 7.696 -3.415 -1.166 1.00 0.00 H new ATOM 0 HB3 CYS A 23 9.271 -2.819 -1.650 1.00 0.00 H new ATOM 0 HG CYS A 23 8.004 -1.099 0.297 1.00 0.00 H new ATOM 78 N ASN A 24 5.640 -3.852 -3.216 1.00 0.00 N ATOM 79 CA ASN A 24 4.188 -3.917 -3.222 1.00 0.00 C ATOM 80 C ASN A 24 3.642 -3.402 -1.899 1.00 0.00 C ATOM 81 O ASN A 24 3.879 -3.991 -0.845 1.00 0.00 O ATOM 82 CB ASN A 24 3.696 -5.347 -3.488 1.00 0.00 C ATOM 83 CG ASN A 24 4.552 -6.399 -2.817 1.00 0.00 C ATOM 84 OD1 ASN A 24 4.345 -6.743 -1.656 1.00 0.00 O ATOM 85 ND2 ASN A 24 5.513 -6.930 -3.557 1.00 0.00 N ATOM 0 H ASN A 24 6.104 -4.754 -3.110 1.00 0.00 H new ATOM 0 HA ASN A 24 3.819 -3.285 -4.030 1.00 0.00 H new ATOM 0 HB2 ASN A 24 2.669 -5.444 -3.137 1.00 0.00 H new ATOM 0 HB3 ASN A 24 3.684 -5.527 -4.563 1.00 0.00 H new ATOM 0 HD21 ASN A 24 6.116 -7.654 -3.167 1.00 0.00 H new ATOM 0 HD22 ASN A 24 5.650 -6.615 -4.517 1.00 0.00 H new ATOM 92 N HIS A 25 2.933 -2.287 -1.961 1.00 0.00 N ATOM 93 CA HIS A 25 2.370 -1.669 -0.770 1.00 0.00 C ATOM 94 C HIS A 25 1.049 -2.342 -0.421 1.00 0.00 C ATOM 95 O HIS A 25 0.080 -2.246 -1.172 1.00 0.00 O ATOM 96 CB HIS A 25 2.138 -0.170 -0.985 1.00 0.00 C ATOM 97 CG HIS A 25 3.379 0.649 -1.209 1.00 0.00 C ATOM 98 ND1 HIS A 25 4.535 0.155 -1.770 1.00 0.00 N ATOM 99 CD2 HIS A 25 3.629 1.956 -0.948 1.00 0.00 C ATOM 100 CE1 HIS A 25 5.436 1.115 -1.844 1.00 0.00 C ATOM 101 NE2 HIS A 25 4.914 2.222 -1.355 1.00 0.00 N ATOM 0 H HIS A 25 2.732 -1.788 -2.828 1.00 0.00 H new ATOM 0 HA HIS A 25 3.079 -1.795 0.049 1.00 0.00 H new ATOM 0 HB2 HIS A 25 1.478 -0.041 -1.843 1.00 0.00 H new ATOM 0 HB3 HIS A 25 1.613 0.227 -0.117 1.00 0.00 H new ATOM 0 HD1 HIS A 25 4.673 -0.807 -2.081 1.00 0.00 H new ATOM 0 HD2 HIS A 25 2.943 2.660 -0.501 1.00 0.00 H new ATOM 0 HE1 HIS A 25 6.436 1.011 -2.240 1.00 0.00 H new ATOM 110 N HIS A 26 1.022 -3.025 0.711 1.00 0.00 N ATOM 111 CA HIS A 26 -0.158 -3.779 1.125 1.00 0.00 C ATOM 112 C HIS A 26 -1.146 -2.891 1.861 1.00 0.00 C ATOM 113 O HIS A 26 -0.782 -2.217 2.825 1.00 0.00 O ATOM 114 CB HIS A 26 0.225 -4.948 2.041 1.00 0.00 C ATOM 115 CG HIS A 26 0.933 -6.070 1.356 1.00 0.00 C ATOM 116 ND1 HIS A 26 0.411 -7.339 1.276 1.00 0.00 N ATOM 117 CD2 HIS A 26 2.137 -6.122 0.749 1.00 0.00 C ATOM 118 CE1 HIS A 26 1.264 -8.124 0.652 1.00 0.00 C ATOM 119 NE2 HIS A 26 2.323 -7.412 0.319 1.00 0.00 N ATOM 0 H HIS A 26 1.804 -3.075 1.364 1.00 0.00 H new ATOM 0 HA HIS A 26 -0.621 -4.165 0.217 1.00 0.00 H new ATOM 0 HB2 HIS A 26 0.860 -4.571 2.843 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -0.680 -5.338 2.508 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.827 -5.300 0.625 1.00 0.00 H new ATOM 0 HE1 HIS A 26 1.121 -9.175 0.447 1.00 0.00 H new ATOM 0 HE2 HIS A 26 3.144 -7.762 -0.176 1.00 0.00 H new ATOM 128 N LEU A 27 -2.390 -2.902 1.410 1.00 0.00 N ATOM 129 CA LEU A 27 -3.459 -2.201 2.100 1.00 0.00 C ATOM 130 C LEU A 27 -4.255 -3.200 2.927 1.00 0.00 C ATOM 131 O LEU A 27 -4.631 -4.275 2.437 1.00 0.00 O ATOM 132 CB LEU A 27 -4.367 -1.476 1.097 1.00 0.00 C ATOM 133 CG LEU A 27 -5.207 -0.317 1.669 1.00 0.00 C ATOM 134 CD1 LEU A 27 -6.284 -0.820 2.608 1.00 0.00 C ATOM 135 CD2 LEU A 27 -4.322 0.676 2.402 1.00 0.00 C ATOM 0 H LEU A 27 -2.684 -3.391 0.565 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.031 -1.447 2.761 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.747 -1.086 0.290 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.044 -2.207 0.654 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.687 0.179 0.826 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.856 0.025 2.992 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.950 -1.494 2.070 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.822 -1.353 3.439 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.934 1.486 2.798 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.812 0.172 3.223 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -3.583 1.084 1.712 1.00 0.00 H new ATOM 147 N LEU A 28 -4.502 -2.843 4.177 1.00 0.00 N ATOM 148 CA LEU A 28 -5.221 -3.700 5.096 1.00 0.00 C ATOM 149 C LEU A 28 -6.681 -3.272 5.198 1.00 0.00 C ATOM 150 O LEU A 28 -6.994 -2.122 5.524 1.00 0.00 O ATOM 151 CB LEU A 28 -4.557 -3.667 6.475 1.00 0.00 C ATOM 152 CG LEU A 28 -4.181 -5.036 7.047 1.00 0.00 C ATOM 153 CD1 LEU A 28 -5.423 -5.877 7.306 1.00 0.00 C ATOM 154 CD2 LEU A 28 -3.232 -5.756 6.102 1.00 0.00 C ATOM 0 H LEU A 28 -4.209 -1.953 4.579 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.190 -4.721 4.716 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.656 -3.057 6.413 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.231 -3.171 7.174 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.675 -4.884 8.001 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.129 -6.845 7.712 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.067 -5.364 8.020 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.964 -6.025 6.371 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.971 -6.729 6.519 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.716 -5.894 5.135 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.327 -5.162 5.973 1.00 0.00 H new ATOM 166 N TYR A 29 -7.560 -4.216 4.939 1.00 0.00 N ATOM 167 CA TYR A 29 -8.991 -3.988 4.992 1.00 0.00 C ATOM 168 C TYR A 29 -9.454 -4.380 6.380 1.00 0.00 C ATOM 169 O TYR A 29 -8.824 -5.227 7.007 1.00 0.00 O ATOM 170 CB TYR A 29 -9.674 -4.852 3.920 1.00 0.00 C ATOM 171 CG TYR A 29 -11.169 -4.672 3.784 1.00 0.00 C ATOM 172 CD1 TYR A 29 -11.693 -3.600 3.076 1.00 0.00 C ATOM 173 CD2 TYR A 29 -12.052 -5.591 4.333 1.00 0.00 C ATOM 174 CE1 TYR A 29 -13.056 -3.450 2.915 1.00 0.00 C ATOM 175 CE2 TYR A 29 -13.417 -5.445 4.183 1.00 0.00 C ATOM 176 CZ TYR A 29 -13.914 -4.373 3.473 1.00 0.00 C ATOM 177 OH TYR A 29 -15.274 -4.231 3.304 1.00 0.00 O ATOM 0 H TYR A 29 -7.302 -5.169 4.684 1.00 0.00 H new ATOM 0 HA TYR A 29 -9.243 -2.946 4.798 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -9.212 -4.635 2.957 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -9.472 -5.900 4.142 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -11.024 -2.871 2.644 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -11.665 -6.434 4.886 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -13.448 -2.614 2.355 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -14.091 -6.167 4.620 1.00 0.00 H new ATOM 0 HH TYR A 29 -15.738 -4.965 3.758 1.00 0.00 H new ATOM 187 N ASN A 30 -10.505 -3.739 6.881 1.00 0.00 N ATOM 188 CA ASN A 30 -11.007 -4.044 8.218 1.00 0.00 C ATOM 189 C ASN A 30 -11.283 -5.533 8.351 1.00 0.00 C ATOM 190 O ASN A 30 -12.329 -6.023 7.923 1.00 0.00 O ATOM 191 CB ASN A 30 -12.280 -3.252 8.524 1.00 0.00 C ATOM 192 CG ASN A 30 -12.019 -1.783 8.808 1.00 0.00 C ATOM 193 OD1 ASN A 30 -11.100 -1.179 8.258 1.00 0.00 O ATOM 194 ND2 ASN A 30 -12.824 -1.206 9.686 1.00 0.00 N ATOM 0 H ASN A 30 -11.022 -3.011 6.388 1.00 0.00 H new ATOM 0 HA ASN A 30 -10.240 -3.754 8.937 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -12.964 -3.336 7.679 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -12.779 -3.698 9.384 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -12.694 -0.224 9.929 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -13.575 -1.743 10.120 1.00 0.00 H new ATOM 201 N GLY A 31 -10.343 -6.238 8.964 1.00 0.00 N ATOM 202 CA GLY A 31 -10.415 -7.676 9.035 1.00 0.00 C ATOM 203 C GLY A 31 -9.185 -8.343 8.438 1.00 0.00 C ATOM 204 O GLY A 31 -8.377 -8.919 9.166 1.00 0.00 O ATOM 0 H GLY A 31 -9.525 -5.831 9.417 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -10.523 -7.982 10.076 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -11.305 -8.020 8.508 1.00 0.00 H new ATOM 208 N ARG A 32 -9.015 -8.241 7.118 1.00 0.00 N ATOM 209 CA ARG A 32 -7.962 -8.993 6.421 1.00 0.00 C ATOM 210 C ARG A 32 -7.333 -8.186 5.288 1.00 0.00 C ATOM 211 O ARG A 32 -7.709 -7.043 5.042 1.00 0.00 O ATOM 212 CB ARG A 32 -8.520 -10.299 5.833 1.00 0.00 C ATOM 213 CG ARG A 32 -9.143 -11.227 6.858 1.00 0.00 C ATOM 214 CD ARG A 32 -8.122 -11.715 7.871 1.00 0.00 C ATOM 215 NE ARG A 32 -8.766 -12.297 9.045 1.00 0.00 N ATOM 216 CZ ARG A 32 -8.141 -12.534 10.194 1.00 0.00 C ATOM 217 NH1 ARG A 32 -6.832 -12.333 10.298 1.00 0.00 N ATOM 218 NH2 ARG A 32 -8.826 -12.977 11.237 1.00 0.00 N ATOM 0 H ARG A 32 -9.586 -7.651 6.512 1.00 0.00 H new ATOM 0 HA ARG A 32 -7.197 -9.211 7.166 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -9.268 -10.054 5.079 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -7.715 -10.828 5.323 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -9.949 -10.708 7.376 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -9.589 -12.082 6.350 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -7.473 -12.457 7.406 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -7.487 -10.884 8.178 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.755 -12.536 8.980 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -6.302 -11.995 9.494 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -6.357 -12.516 11.182 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -9.830 -13.136 11.157 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -8.349 -13.160 12.120 1.00 0.00 H new ATOM 232 N HIS A 33 -6.357 -8.801 4.622 1.00 0.00 N ATOM 233 CA HIS A 33 -5.744 -8.262 3.412 1.00 0.00 C ATOM 234 C HIS A 33 -6.795 -7.790 2.404 1.00 0.00 C ATOM 235 O HIS A 33 -7.771 -8.491 2.135 1.00 0.00 O ATOM 236 CB HIS A 33 -4.865 -9.365 2.796 1.00 0.00 C ATOM 237 CG HIS A 33 -4.636 -9.254 1.314 1.00 0.00 C ATOM 238 ND1 HIS A 33 -5.416 -9.917 0.394 1.00 0.00 N ATOM 239 CD2 HIS A 33 -3.714 -8.570 0.594 1.00 0.00 C ATOM 240 CE1 HIS A 33 -4.988 -9.651 -0.822 1.00 0.00 C ATOM 241 NE2 HIS A 33 -3.957 -8.835 -0.732 1.00 0.00 N ATOM 0 H HIS A 33 -5.966 -9.698 4.912 1.00 0.00 H new ATOM 0 HA HIS A 33 -5.143 -7.390 3.670 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -3.897 -9.358 3.298 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -5.325 -10.331 3.004 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -2.934 -7.935 0.989 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -5.410 -10.036 -1.738 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -3.426 -8.461 -1.519 1.00 0.00 H new ATOM 250 N TRP A 34 -6.589 -6.599 1.850 1.00 0.00 N ATOM 251 CA TRP A 34 -7.446 -6.120 0.777 1.00 0.00 C ATOM 252 C TRP A 34 -6.732 -6.256 -0.561 1.00 0.00 C ATOM 253 O TRP A 34 -7.223 -6.915 -1.475 1.00 0.00 O ATOM 254 CB TRP A 34 -7.854 -4.659 0.993 1.00 0.00 C ATOM 255 CG TRP A 34 -8.876 -4.195 -0.001 1.00 0.00 C ATOM 256 CD1 TRP A 34 -10.230 -4.281 0.123 1.00 0.00 C ATOM 257 CD2 TRP A 34 -8.628 -3.595 -1.281 1.00 0.00 C ATOM 258 NE1 TRP A 34 -10.841 -3.773 -0.995 1.00 0.00 N ATOM 259 CE2 TRP A 34 -9.880 -3.346 -1.873 1.00 0.00 C ATOM 260 CE3 TRP A 34 -7.469 -3.244 -1.982 1.00 0.00 C ATOM 261 CZ2 TRP A 34 -10.005 -2.763 -3.133 1.00 0.00 C ATOM 262 CZ3 TRP A 34 -7.596 -2.667 -3.232 1.00 0.00 C ATOM 263 CH2 TRP A 34 -8.855 -2.431 -3.797 1.00 0.00 C ATOM 0 H TRP A 34 -5.845 -5.957 2.124 1.00 0.00 H new ATOM 0 HA TRP A 34 -8.349 -6.730 0.777 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -8.253 -4.542 2.001 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -6.970 -4.024 0.924 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -10.748 -4.690 0.978 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -11.848 -3.721 -1.148 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -6.493 -3.421 -1.554 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -10.975 -2.580 -3.570 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -6.708 -2.393 -3.782 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -8.920 -1.978 -4.775 1.00 0.00 H new ATOM 274 N GLY A 35 -5.560 -5.646 -0.663 1.00 0.00 N ATOM 275 CA GLY A 35 -4.826 -5.667 -1.910 1.00 0.00 C ATOM 276 C GLY A 35 -3.441 -5.082 -1.762 1.00 0.00 C ATOM 277 O GLY A 35 -3.046 -4.688 -0.662 1.00 0.00 O ATOM 0 H GLY A 35 -5.105 -5.137 0.095 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.749 -6.694 -2.268 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.378 -5.106 -2.665 1.00 0.00 H new ATOM 281 N THR A 36 -2.700 -5.030 -2.858 1.00 0.00 N ATOM 282 CA THR A 36 -1.351 -4.500 -2.840 1.00 0.00 C ATOM 283 C THR A 36 -0.973 -3.940 -4.214 1.00 0.00 C ATOM 284 O THR A 36 -1.308 -4.520 -5.253 1.00 0.00 O ATOM 285 CB THR A 36 -0.334 -5.577 -2.380 1.00 0.00 C ATOM 286 OG1 THR A 36 0.944 -4.988 -2.130 1.00 0.00 O ATOM 287 CG2 THR A 36 -0.174 -6.681 -3.412 1.00 0.00 C ATOM 0 H THR A 36 -3.015 -5.351 -3.774 1.00 0.00 H new ATOM 0 HA THR A 36 -1.318 -3.683 -2.119 1.00 0.00 H new ATOM 0 HB THR A 36 -0.728 -6.013 -1.462 1.00 0.00 H new ATOM 0 HG1 THR A 36 0.942 -4.059 -2.441 1.00 0.00 H new ATOM 0 HG21 THR A 36 0.547 -7.415 -3.051 1.00 0.00 H new ATOM 0 HG22 THR A 36 -1.135 -7.167 -3.577 1.00 0.00 H new ATOM 0 HG23 THR A 36 0.182 -6.254 -4.350 1.00 0.00 H new ATOM 295 N ILE A 37 -0.300 -2.793 -4.210 1.00 0.00 N ATOM 296 CA ILE A 37 0.110 -2.127 -5.441 1.00 0.00 C ATOM 297 C ILE A 37 1.635 -2.084 -5.516 1.00 0.00 C ATOM 298 O ILE A 37 2.302 -1.677 -4.560 1.00 0.00 O ATOM 299 CB ILE A 37 -0.444 -0.672 -5.565 1.00 0.00 C ATOM 300 CG1 ILE A 37 -1.982 -0.629 -5.615 1.00 0.00 C ATOM 301 CG2 ILE A 37 0.116 0.001 -6.811 1.00 0.00 C ATOM 302 CD1 ILE A 37 -2.662 -0.920 -4.295 1.00 0.00 C ATOM 0 H ILE A 37 -0.025 -2.302 -3.359 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.307 -2.706 -6.265 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.123 -0.137 -4.671 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -2.294 0.357 -5.960 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.329 -1.351 -6.355 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.278 1.015 -6.885 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.203 0.038 -6.747 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -0.176 -0.568 -7.694 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.743 -0.868 -4.423 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.384 -1.918 -3.955 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -2.349 -0.184 -3.554 1.00 0.00 H new ATOM 314 N ARG A 38 2.182 -2.507 -6.646 1.00 0.00 N ATOM 315 CA ARG A 38 3.623 -2.553 -6.837 1.00 0.00 C ATOM 316 C ARG A 38 4.150 -1.166 -7.202 1.00 0.00 C ATOM 317 O ARG A 38 4.039 -0.736 -8.350 1.00 0.00 O ATOM 318 CB ARG A 38 3.956 -3.541 -7.955 1.00 0.00 C ATOM 319 CG ARG A 38 5.387 -4.044 -7.934 1.00 0.00 C ATOM 320 CD ARG A 38 5.598 -5.073 -6.833 1.00 0.00 C ATOM 321 NE ARG A 38 4.741 -6.245 -7.013 1.00 0.00 N ATOM 322 CZ ARG A 38 5.136 -7.505 -6.827 1.00 0.00 C ATOM 323 NH1 ARG A 38 6.372 -7.766 -6.422 1.00 0.00 N ATOM 324 NH2 ARG A 38 4.298 -8.501 -7.056 1.00 0.00 N ATOM 0 H ARG A 38 1.643 -2.826 -7.451 1.00 0.00 H new ATOM 0 HA ARG A 38 4.096 -2.877 -5.910 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.282 -4.394 -7.883 1.00 0.00 H new ATOM 0 HB3 ARG A 38 3.765 -3.063 -8.916 1.00 0.00 H new ATOM 0 HG2 ARG A 38 5.633 -4.486 -8.899 1.00 0.00 H new ATOM 0 HG3 ARG A 38 6.067 -3.205 -7.785 1.00 0.00 H new ATOM 0 HD2 ARG A 38 6.642 -5.385 -6.822 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.391 -4.617 -5.865 1.00 0.00 H new ATOM 0 HE ARG A 38 3.775 -6.088 -7.300 1.00 0.00 H new ATOM 0 HH11 ARG A 38 7.025 -7.001 -6.251 1.00 0.00 H new ATOM 0 HH12 ARG A 38 6.669 -8.731 -6.281 1.00 0.00 H new ATOM 0 HH21 ARG A 38 3.349 -8.306 -7.375 1.00 0.00 H new ATOM 0 HH22 ARG A 38 4.600 -9.465 -6.914 1.00 0.00 H new ATOM 338 N LYS A 39 4.702 -0.459 -6.224 1.00 0.00 N ATOM 339 CA LYS A 39 5.214 0.887 -6.452 1.00 0.00 C ATOM 340 C LYS A 39 6.511 1.125 -5.688 1.00 0.00 C ATOM 341 O LYS A 39 6.768 0.503 -4.660 1.00 0.00 O ATOM 342 CB LYS A 39 4.158 1.926 -6.068 1.00 0.00 C ATOM 343 CG LYS A 39 3.066 2.084 -7.118 1.00 0.00 C ATOM 344 CD LYS A 39 3.608 2.730 -8.386 1.00 0.00 C ATOM 345 CE LYS A 39 2.619 2.641 -9.543 1.00 0.00 C ATOM 346 NZ LYS A 39 2.650 1.308 -10.205 1.00 0.00 N ATOM 0 H LYS A 39 4.807 -0.794 -5.266 1.00 0.00 H new ATOM 0 HA LYS A 39 5.436 0.990 -7.514 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.703 1.640 -5.120 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.644 2.889 -5.911 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.644 1.108 -7.356 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.256 2.692 -6.715 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.841 3.776 -8.188 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.542 2.244 -8.669 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.612 2.839 -9.175 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.848 3.415 -10.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.678 0.993 -10.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.175 1.377 -11.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.119 0.621 -9.581 1.00 0.00 H new ATOM 360 N LYS A 40 7.328 2.023 -6.215 1.00 0.00 N ATOM 361 CA LYS A 40 8.639 2.310 -5.647 1.00 0.00 C ATOM 362 C LYS A 40 8.531 2.973 -4.279 1.00 0.00 C ATOM 363 O LYS A 40 7.527 3.615 -3.957 1.00 0.00 O ATOM 364 CB LYS A 40 9.431 3.215 -6.590 1.00 0.00 C ATOM 365 CG LYS A 40 9.647 2.618 -7.968 1.00 0.00 C ATOM 366 CD LYS A 40 10.472 3.535 -8.851 1.00 0.00 C ATOM 367 CE LYS A 40 11.843 3.801 -8.250 1.00 0.00 C ATOM 368 NZ LYS A 40 12.688 4.632 -9.145 1.00 0.00 N ATOM 0 H LYS A 40 7.104 2.572 -7.045 1.00 0.00 H new ATOM 0 HA LYS A 40 9.157 1.359 -5.522 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.907 4.165 -6.693 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.400 3.433 -6.142 1.00 0.00 H new ATOM 0 HG2 LYS A 40 10.149 1.655 -7.873 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.682 2.430 -8.439 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.587 3.086 -9.837 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.945 4.479 -8.990 1.00 0.00 H new ATOM 0 HE2 LYS A 40 11.727 4.304 -7.290 1.00 0.00 H new ATOM 0 HE3 LYS A 40 12.344 2.853 -8.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 13.614 4.791 -8.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 12.820 4.141 -10.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 12.222 5.547 -9.311 1.00 0.00 H new ATOM 382 N ALA A 41 9.576 2.808 -3.478 1.00 0.00 N ATOM 383 CA ALA A 41 9.648 3.433 -2.168 1.00 0.00 C ATOM 384 C ALA A 41 9.802 4.941 -2.313 1.00 0.00 C ATOM 385 O ALA A 41 10.499 5.418 -3.209 1.00 0.00 O ATOM 386 CB ALA A 41 10.803 2.855 -1.364 1.00 0.00 C ATOM 0 H ALA A 41 10.390 2.242 -3.717 1.00 0.00 H new ATOM 0 HA ALA A 41 8.721 3.227 -1.633 1.00 0.00 H new ATOM 0 HB1 ALA A 41 10.842 3.335 -0.386 1.00 0.00 H new ATOM 0 HB2 ALA A 41 10.657 1.782 -1.236 1.00 0.00 H new ATOM 0 HB3 ALA A 41 11.739 3.033 -1.893 1.00 0.00 H new ATOM 392 N GLY A 42 9.139 5.689 -1.442 1.00 0.00 N ATOM 393 CA GLY A 42 9.167 7.136 -1.533 1.00 0.00 C ATOM 394 C GLY A 42 8.022 7.679 -2.363 1.00 0.00 C ATOM 395 O GLY A 42 7.588 8.816 -2.174 1.00 0.00 O ATOM 0 H GLY A 42 8.581 5.319 -0.672 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.121 7.562 -0.531 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.113 7.453 -1.971 1.00 0.00 H new ATOM 399 N TRP A 43 7.534 6.863 -3.286 1.00 0.00 N ATOM 400 CA TRP A 43 6.419 7.246 -4.135 1.00 0.00 C ATOM 401 C TRP A 43 5.095 7.055 -3.409 1.00 0.00 C ATOM 402 O TRP A 43 4.872 6.034 -2.750 1.00 0.00 O ATOM 403 CB TRP A 43 6.427 6.435 -5.432 1.00 0.00 C ATOM 404 CG TRP A 43 7.404 6.944 -6.446 1.00 0.00 C ATOM 405 CD1 TRP A 43 8.749 6.711 -6.489 1.00 0.00 C ATOM 406 CD2 TRP A 43 7.105 7.776 -7.571 1.00 0.00 C ATOM 407 NE1 TRP A 43 9.301 7.347 -7.573 1.00 0.00 N ATOM 408 CE2 TRP A 43 8.313 8.008 -8.252 1.00 0.00 C ATOM 409 CE3 TRP A 43 5.928 8.347 -8.070 1.00 0.00 C ATOM 410 CZ2 TRP A 43 8.379 8.787 -9.402 1.00 0.00 C ATOM 411 CZ3 TRP A 43 5.998 9.121 -9.211 1.00 0.00 C ATOM 412 CH2 TRP A 43 7.217 9.334 -9.867 1.00 0.00 C ATOM 0 H TRP A 43 7.896 5.927 -3.465 1.00 0.00 H new ATOM 0 HA TRP A 43 6.531 8.302 -4.380 1.00 0.00 H new ATOM 0 HB2 TRP A 43 6.663 5.396 -5.201 1.00 0.00 H new ATOM 0 HB3 TRP A 43 5.427 6.446 -5.865 1.00 0.00 H new ATOM 0 HD1 TRP A 43 9.298 6.114 -5.775 1.00 0.00 H new ATOM 0 HE1 TRP A 43 10.288 7.330 -7.831 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.984 8.185 -7.572 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 9.317 8.954 -9.910 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.098 9.570 -9.604 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.239 9.943 -10.759 1.00 0.00 H new ATOM 423 N ALA A 44 4.230 8.054 -3.517 1.00 0.00 N ATOM 424 CA ALA A 44 2.911 7.991 -2.922 1.00 0.00 C ATOM 425 C ALA A 44 1.991 7.136 -3.785 1.00 0.00 C ATOM 426 O ALA A 44 1.797 7.424 -4.965 1.00 0.00 O ATOM 427 CB ALA A 44 2.342 9.390 -2.770 1.00 0.00 C ATOM 0 H ALA A 44 4.424 8.922 -4.016 1.00 0.00 H new ATOM 0 HA ALA A 44 2.987 7.536 -1.934 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.350 9.333 -2.322 1.00 0.00 H new ATOM 0 HB2 ALA A 44 2.996 9.981 -2.129 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.271 9.862 -3.750 1.00 0.00 H new ATOM 433 N VAL A 45 1.438 6.085 -3.208 1.00 0.00 N ATOM 434 CA VAL A 45 0.565 5.189 -3.943 1.00 0.00 C ATOM 435 C VAL A 45 -0.867 5.313 -3.422 1.00 0.00 C ATOM 436 O VAL A 45 -1.088 5.585 -2.239 1.00 0.00 O ATOM 437 CB VAL A 45 1.051 3.724 -3.844 1.00 0.00 C ATOM 438 CG1 VAL A 45 0.866 3.173 -2.441 1.00 0.00 C ATOM 439 CG2 VAL A 45 0.343 2.849 -4.865 1.00 0.00 C ATOM 0 H VAL A 45 1.579 5.831 -2.230 1.00 0.00 H new ATOM 0 HA VAL A 45 0.589 5.476 -4.994 1.00 0.00 H new ATOM 0 HB VAL A 45 2.118 3.714 -4.066 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.217 2.142 -2.406 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.438 3.775 -1.735 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -0.190 3.206 -2.174 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.701 1.823 -4.776 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.731 2.875 -4.684 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.551 3.220 -5.869 1.00 0.00 H new ATOM 449 N ARG A 46 -1.830 5.138 -4.313 1.00 0.00 N ATOM 450 CA ARG A 46 -3.229 5.303 -3.955 1.00 0.00 C ATOM 451 C ARG A 46 -3.805 4.001 -3.412 1.00 0.00 C ATOM 452 O ARG A 46 -3.463 2.913 -3.878 1.00 0.00 O ATOM 453 CB ARG A 46 -4.049 5.794 -5.165 1.00 0.00 C ATOM 454 CG ARG A 46 -4.593 4.695 -6.083 1.00 0.00 C ATOM 455 CD ARG A 46 -3.496 3.893 -6.769 1.00 0.00 C ATOM 456 NE ARG A 46 -4.050 2.911 -7.699 1.00 0.00 N ATOM 457 CZ ARG A 46 -3.318 2.158 -8.515 1.00 0.00 C ATOM 458 NH1 ARG A 46 -2.006 2.348 -8.611 1.00 0.00 N ATOM 459 NH2 ARG A 46 -3.907 1.230 -9.254 1.00 0.00 N ATOM 0 H ARG A 46 -1.669 4.882 -5.287 1.00 0.00 H new ATOM 0 HA ARG A 46 -3.290 6.058 -3.171 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -4.888 6.384 -4.797 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.424 6.462 -5.758 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -5.218 4.019 -5.500 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -5.233 5.147 -6.841 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -2.832 4.570 -7.306 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -2.893 3.384 -6.018 1.00 0.00 H new ATOM 0 HE ARG A 46 -5.063 2.796 -7.724 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -1.554 3.075 -8.057 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -1.451 1.767 -9.239 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -4.916 1.096 -9.195 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -3.351 0.649 -9.882 1.00 0.00 H new ATOM 473 N PHE A 47 -4.652 4.116 -2.406 1.00 0.00 N ATOM 474 CA PHE A 47 -5.395 2.982 -1.904 1.00 0.00 C ATOM 475 C PHE A 47 -6.871 3.325 -1.866 1.00 0.00 C ATOM 476 O PHE A 47 -7.254 4.429 -1.475 1.00 0.00 O ATOM 477 CB PHE A 47 -4.908 2.573 -0.519 1.00 0.00 C ATOM 478 CG PHE A 47 -3.520 2.008 -0.511 1.00 0.00 C ATOM 479 CD1 PHE A 47 -3.248 0.800 -1.130 1.00 0.00 C ATOM 480 CD2 PHE A 47 -2.492 2.677 0.127 1.00 0.00 C ATOM 481 CE1 PHE A 47 -1.976 0.271 -1.111 1.00 0.00 C ATOM 482 CE2 PHE A 47 -1.218 2.148 0.151 1.00 0.00 C ATOM 483 CZ PHE A 47 -0.962 0.944 -0.468 1.00 0.00 C ATOM 0 H PHE A 47 -4.841 4.992 -1.919 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.235 2.136 -2.573 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -4.941 3.441 0.139 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -5.594 1.834 -0.106 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -4.041 0.267 -1.633 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -2.688 3.622 0.611 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -1.775 -0.671 -1.600 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -0.422 2.677 0.654 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.035 0.528 -0.449 1.00 0.00 H new ATOM 493 N TYR A 48 -7.691 2.378 -2.269 1.00 0.00 N ATOM 494 CA TYR A 48 -9.109 2.612 -2.438 1.00 0.00 C ATOM 495 C TYR A 48 -9.873 1.312 -2.257 1.00 0.00 C ATOM 496 O TYR A 48 -9.293 0.234 -2.357 1.00 0.00 O ATOM 497 CB TYR A 48 -9.369 3.200 -3.833 1.00 0.00 C ATOM 498 CG TYR A 48 -8.787 2.374 -4.965 1.00 0.00 C ATOM 499 CD1 TYR A 48 -7.436 2.446 -5.290 1.00 0.00 C ATOM 500 CD2 TYR A 48 -9.589 1.519 -5.706 1.00 0.00 C ATOM 501 CE1 TYR A 48 -6.906 1.691 -6.319 1.00 0.00 C ATOM 502 CE2 TYR A 48 -9.067 0.761 -6.739 1.00 0.00 C ATOM 503 CZ TYR A 48 -7.725 0.847 -7.039 1.00 0.00 C ATOM 504 OH TYR A 48 -7.198 0.095 -8.069 1.00 0.00 O ATOM 0 H TYR A 48 -7.395 1.427 -2.488 1.00 0.00 H new ATOM 0 HA TYR A 48 -9.453 3.322 -1.686 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -10.445 3.296 -3.982 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -8.950 4.205 -3.877 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -6.790 3.104 -4.728 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -10.641 1.443 -5.472 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -5.855 1.762 -6.558 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -9.709 0.105 -7.308 1.00 0.00 H new ATOM 0 HH TYR A 48 -7.907 -0.448 -8.474 1.00 0.00 H new ATOM 514 N GLU A 49 -11.160 1.416 -1.969 1.00 0.00 N ATOM 515 CA GLU A 49 -12.010 0.241 -1.876 1.00 0.00 C ATOM 516 C GLU A 49 -12.919 0.162 -3.087 1.00 0.00 C ATOM 517 O GLU A 49 -13.455 1.178 -3.540 1.00 0.00 O ATOM 518 CB GLU A 49 -12.856 0.247 -0.596 1.00 0.00 C ATOM 519 CG GLU A 49 -13.797 1.436 -0.470 1.00 0.00 C ATOM 520 CD GLU A 49 -14.760 1.284 0.688 1.00 0.00 C ATOM 521 OE1 GLU A 49 -15.585 0.342 0.656 1.00 0.00 O ATOM 522 OE2 GLU A 49 -14.710 2.102 1.628 1.00 0.00 O ATOM 0 H GLU A 49 -11.638 2.300 -1.796 1.00 0.00 H new ATOM 0 HA GLU A 49 -11.359 -0.633 -1.843 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.443 -0.671 -0.559 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -12.189 0.234 0.266 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -13.213 2.347 -0.337 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -14.360 1.551 -1.396 1.00 0.00 H new ATOM 529 N GLU A 50 -13.067 -1.033 -3.628 1.00 0.00 N ATOM 530 CA GLU A 50 -14.004 -1.253 -4.707 1.00 0.00 C ATOM 531 C GLU A 50 -15.144 -2.138 -4.239 1.00 0.00 C ATOM 532 O GLU A 50 -14.993 -3.351 -4.098 1.00 0.00 O ATOM 533 CB GLU A 50 -13.322 -1.877 -5.925 1.00 0.00 C ATOM 534 CG GLU A 50 -12.326 -0.955 -6.601 1.00 0.00 C ATOM 535 CD GLU A 50 -12.082 -1.327 -8.050 1.00 0.00 C ATOM 536 OE1 GLU A 50 -12.982 -1.087 -8.884 1.00 0.00 O ATOM 537 OE2 GLU A 50 -10.991 -1.832 -8.370 1.00 0.00 O ATOM 0 H GLU A 50 -12.550 -1.863 -3.337 1.00 0.00 H new ATOM 0 HA GLU A 50 -14.400 -0.282 -5.006 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -12.810 -2.789 -5.617 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -14.084 -2.168 -6.648 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -12.692 0.070 -6.549 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -11.382 -0.984 -6.058 1.00 0.00 H new ATOM 544 N LYS A 51 -16.272 -1.515 -3.961 1.00 0.00 N ATOM 545 CA LYS A 51 -17.496 -2.242 -3.688 1.00 0.00 C ATOM 546 C LYS A 51 -18.234 -2.439 -5.003 1.00 0.00 C ATOM 547 O LYS A 51 -18.212 -1.560 -5.865 1.00 0.00 O ATOM 548 CB LYS A 51 -18.387 -1.474 -2.710 1.00 0.00 C ATOM 549 CG LYS A 51 -17.840 -1.337 -1.294 1.00 0.00 C ATOM 550 CD LYS A 51 -17.862 -2.651 -0.545 1.00 0.00 C ATOM 551 CE LYS A 51 -17.495 -2.420 0.903 1.00 0.00 C ATOM 552 NZ LYS A 51 -16.033 -2.274 1.105 1.00 0.00 N ATOM 0 H LYS A 51 -16.366 -0.500 -3.918 1.00 0.00 H new ATOM 0 HA LYS A 51 -17.251 -3.202 -3.234 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -18.562 -0.476 -3.112 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -19.356 -1.972 -2.660 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -16.818 -0.961 -1.336 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -18.429 -0.599 -0.748 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -18.852 -3.102 -0.611 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -17.162 -3.352 -1.000 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -17.999 -1.523 1.263 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -17.860 -3.253 1.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -15.733 -2.865 1.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -15.532 -2.576 0.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -15.808 -1.279 1.305 1.00 0.00 H new ATOM 566 N PRO A 52 -18.891 -3.588 -5.180 1.00 0.00 N ATOM 567 CA PRO A 52 -19.613 -3.899 -6.414 1.00 0.00 C ATOM 568 C PRO A 52 -20.710 -2.878 -6.701 1.00 0.00 C ATOM 569 O PRO A 52 -21.658 -2.729 -5.926 1.00 0.00 O ATOM 570 CB PRO A 52 -20.218 -5.283 -6.144 1.00 0.00 C ATOM 571 CG PRO A 52 -20.178 -5.448 -4.661 1.00 0.00 C ATOM 572 CD PRO A 52 -18.990 -4.665 -4.189 1.00 0.00 C ATOM 0 HA PRO A 52 -18.962 -3.878 -7.288 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -21.239 -5.346 -6.519 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -19.647 -6.066 -6.642 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -21.095 -5.079 -4.203 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -20.086 -6.499 -4.388 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -19.138 -4.275 -3.182 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -18.088 -5.276 -4.165 1.00 0.00 H new ATOM 580 N GLY A 53 -20.562 -2.164 -7.809 1.00 0.00 N ATOM 581 CA GLY A 53 -21.535 -1.165 -8.193 1.00 0.00 C ATOM 582 C GLY A 53 -21.100 0.236 -7.815 1.00 0.00 C ATOM 583 O GLY A 53 -21.620 1.220 -8.339 1.00 0.00 O ATOM 0 H GLY A 53 -19.777 -2.262 -8.453 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -21.698 -1.214 -9.270 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -22.489 -1.388 -7.716 1.00 0.00 H new ATOM 587 N GLN A 54 -20.141 0.327 -6.909 1.00 0.00 N ATOM 588 CA GLN A 54 -19.677 1.615 -6.412 1.00 0.00 C ATOM 589 C GLN A 54 -18.362 2.019 -7.067 1.00 0.00 C ATOM 590 O GLN A 54 -17.547 1.168 -7.428 1.00 0.00 O ATOM 591 CB GLN A 54 -19.476 1.556 -4.899 1.00 0.00 C ATOM 592 CG GLN A 54 -20.743 1.291 -4.107 1.00 0.00 C ATOM 593 CD GLN A 54 -20.480 1.225 -2.615 1.00 0.00 C ATOM 594 OE1 GLN A 54 -21.166 0.517 -1.883 1.00 0.00 O ATOM 595 NE2 GLN A 54 -19.480 1.962 -2.153 1.00 0.00 N ATOM 0 H GLN A 54 -19.666 -0.478 -6.500 1.00 0.00 H new ATOM 0 HA GLN A 54 -20.438 2.355 -6.659 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -18.750 0.775 -4.672 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -19.044 2.500 -4.565 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -21.469 2.077 -4.312 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -21.187 0.352 -4.438 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -18.933 2.538 -2.793 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -19.258 1.954 -1.158 1.00 0.00 H new ATOM 604 N PRO A 55 -18.151 3.329 -7.239 1.00 0.00 N ATOM 605 CA PRO A 55 -16.857 3.870 -7.651 1.00 0.00 C ATOM 606 C PRO A 55 -15.845 3.764 -6.516 1.00 0.00 C ATOM 607 O PRO A 55 -16.214 3.757 -5.339 1.00 0.00 O ATOM 608 CB PRO A 55 -17.168 5.329 -7.970 1.00 0.00 C ATOM 609 CG PRO A 55 -18.361 5.658 -7.141 1.00 0.00 C ATOM 610 CD PRO A 55 -19.163 4.390 -7.053 1.00 0.00 C ATOM 0 HA PRO A 55 -16.418 3.337 -8.494 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -16.326 5.975 -7.724 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -17.375 5.466 -9.031 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -18.065 6.003 -6.150 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -18.944 6.458 -7.596 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -19.667 4.300 -6.091 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -19.934 4.349 -7.822 1.00 0.00 H new ATOM 618 N LYS A 56 -14.577 3.691 -6.881 1.00 0.00 N ATOM 619 CA LYS A 56 -13.503 3.457 -5.923 1.00 0.00 C ATOM 620 C LYS A 56 -13.417 4.590 -4.909 1.00 0.00 C ATOM 621 O LYS A 56 -13.345 5.762 -5.280 1.00 0.00 O ATOM 622 CB LYS A 56 -12.177 3.332 -6.664 1.00 0.00 C ATOM 623 CG LYS A 56 -12.194 2.302 -7.776 1.00 0.00 C ATOM 624 CD LYS A 56 -11.332 2.749 -8.940 1.00 0.00 C ATOM 625 CE LYS A 56 -11.037 1.609 -9.899 1.00 0.00 C ATOM 626 NZ LYS A 56 -12.277 1.005 -10.451 1.00 0.00 N ATOM 0 H LYS A 56 -14.260 3.791 -7.845 1.00 0.00 H new ATOM 0 HA LYS A 56 -13.716 2.533 -5.386 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -11.913 4.303 -7.084 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -11.396 3.070 -5.950 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -11.833 1.346 -7.397 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -13.218 2.144 -8.116 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -11.836 3.553 -9.476 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -10.395 3.156 -8.562 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -10.418 1.976 -10.718 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -10.460 0.842 -9.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -12.036 0.391 -11.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -12.747 0.442 -9.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -12.917 1.759 -10.772 1.00 0.00 H new ATOM 640 N ARG A 57 -13.423 4.237 -3.632 1.00 0.00 N ATOM 641 CA ARG A 57 -13.346 5.225 -2.573 1.00 0.00 C ATOM 642 C ARG A 57 -11.944 5.233 -1.986 1.00 0.00 C ATOM 643 O ARG A 57 -11.472 4.211 -1.493 1.00 0.00 O ATOM 644 CB ARG A 57 -14.377 4.913 -1.484 1.00 0.00 C ATOM 645 CG ARG A 57 -14.371 5.902 -0.330 1.00 0.00 C ATOM 646 CD ARG A 57 -14.890 7.268 -0.751 1.00 0.00 C ATOM 647 NE ARG A 57 -14.865 8.220 0.360 1.00 0.00 N ATOM 648 CZ ARG A 57 -15.260 9.489 0.271 1.00 0.00 C ATOM 649 NH1 ARG A 57 -15.758 9.961 -0.865 1.00 0.00 N ATOM 650 NH2 ARG A 57 -15.163 10.290 1.325 1.00 0.00 N ATOM 0 H ARG A 57 -13.481 3.272 -3.307 1.00 0.00 H new ATOM 0 HA ARG A 57 -13.566 6.210 -2.984 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -15.371 4.898 -1.932 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -14.188 3.913 -1.094 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -14.985 5.515 0.483 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -13.357 6.002 0.057 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -14.284 7.651 -1.572 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -15.909 7.171 -1.125 1.00 0.00 H new ATOM 0 HE ARG A 57 -14.522 7.890 1.262 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -15.841 9.351 -1.678 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -16.058 10.934 -0.925 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -14.786 9.934 2.203 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -15.466 11.262 1.257 1.00 0.00 H new ATOM 664 N LEU A 58 -11.278 6.378 -2.066 1.00 0.00 N ATOM 665 CA LEU A 58 -9.935 6.522 -1.524 1.00 0.00 C ATOM 666 C LEU A 58 -9.928 6.246 -0.031 1.00 0.00 C ATOM 667 O LEU A 58 -10.555 6.966 0.748 1.00 0.00 O ATOM 668 CB LEU A 58 -9.389 7.922 -1.808 1.00 0.00 C ATOM 669 CG LEU A 58 -8.558 8.051 -3.084 1.00 0.00 C ATOM 670 CD1 LEU A 58 -8.510 9.500 -3.540 1.00 0.00 C ATOM 671 CD2 LEU A 58 -7.147 7.533 -2.844 1.00 0.00 C ATOM 0 H LEU A 58 -11.648 7.222 -2.503 1.00 0.00 H new ATOM 0 HA LEU A 58 -9.290 5.792 -2.013 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -10.227 8.616 -1.868 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -8.777 8.234 -0.962 1.00 0.00 H new ATOM 0 HG LEU A 58 -9.027 7.454 -3.866 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -7.915 9.576 -4.450 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -9.522 9.853 -3.738 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -8.059 10.112 -2.759 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.563 7.629 -3.760 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -6.676 8.114 -2.051 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -7.190 6.484 -2.550 1.00 0.00 H new ATOM 683 N VAL A 59 -9.233 5.193 0.361 1.00 0.00 N ATOM 684 CA VAL A 59 -9.173 4.812 1.758 1.00 0.00 C ATOM 685 C VAL A 59 -7.912 5.356 2.407 1.00 0.00 C ATOM 686 O VAL A 59 -7.861 5.501 3.624 1.00 0.00 O ATOM 687 CB VAL A 59 -9.243 3.284 1.957 1.00 0.00 C ATOM 688 CG1 VAL A 59 -10.521 2.728 1.348 1.00 0.00 C ATOM 689 CG2 VAL A 59 -8.018 2.599 1.369 1.00 0.00 C ATOM 0 H VAL A 59 -8.704 4.589 -0.268 1.00 0.00 H new ATOM 0 HA VAL A 59 -10.049 5.248 2.238 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.255 3.080 3.028 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -10.555 1.649 1.497 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -11.384 3.188 1.830 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -10.541 2.948 0.281 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -8.094 1.523 1.523 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -7.961 2.809 0.301 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -7.120 2.974 1.861 1.00 0.00 H new ATOM 699 N ALA A 60 -6.898 5.644 1.584 1.00 0.00 N ATOM 700 CA ALA A 60 -5.669 6.268 2.058 1.00 0.00 C ATOM 701 C ALA A 60 -4.650 6.401 0.939 1.00 0.00 C ATOM 702 O ALA A 60 -4.565 5.557 0.050 1.00 0.00 O ATOM 703 CB ALA A 60 -5.053 5.486 3.209 1.00 0.00 C ATOM 0 H ALA A 60 -6.910 5.452 0.582 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.939 7.262 2.413 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.138 5.980 3.537 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.759 5.442 4.038 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.820 4.474 2.878 1.00 0.00 H new ATOM 709 N ILE A 61 -3.898 7.481 0.976 1.00 0.00 N ATOM 710 CA ILE A 61 -2.747 7.642 0.120 1.00 0.00 C ATOM 711 C ILE A 61 -1.507 7.355 0.948 1.00 0.00 C ATOM 712 O ILE A 61 -1.237 8.050 1.927 1.00 0.00 O ATOM 713 CB ILE A 61 -2.646 9.064 -0.484 1.00 0.00 C ATOM 714 CG1 ILE A 61 -3.922 9.443 -1.243 1.00 0.00 C ATOM 715 CG2 ILE A 61 -1.448 9.143 -1.405 1.00 0.00 C ATOM 716 CD1 ILE A 61 -5.039 9.940 -0.351 1.00 0.00 C ATOM 0 H ILE A 61 -4.069 8.269 1.600 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.842 6.951 -0.717 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.524 9.774 0.334 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.683 10.215 -1.974 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -4.274 8.575 -1.800 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.380 10.145 -1.828 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.541 8.925 -0.842 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.559 8.416 -2.210 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -5.908 10.188 -0.960 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.307 9.162 0.364 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.707 10.828 0.187 1.00 0.00 H new ATOM 728 N CYS A 62 -0.767 6.328 0.586 1.00 0.00 N ATOM 729 CA CYS A 62 0.325 5.877 1.432 1.00 0.00 C ATOM 730 C CYS A 62 1.619 5.751 0.644 1.00 0.00 C ATOM 731 O CYS A 62 1.610 5.476 -0.553 1.00 0.00 O ATOM 732 CB CYS A 62 -0.039 4.541 2.085 1.00 0.00 C ATOM 733 SG CYS A 62 0.877 4.192 3.616 1.00 0.00 S ATOM 0 H CYS A 62 -0.896 5.795 -0.274 1.00 0.00 H new ATOM 0 HA CYS A 62 0.485 6.623 2.211 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -1.107 4.534 2.303 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.146 3.738 1.372 1.00 0.00 H new ATOM 738 N LYS A 63 2.732 5.969 1.319 1.00 0.00 N ATOM 739 CA LYS A 63 4.038 5.896 0.686 1.00 0.00 C ATOM 740 C LYS A 63 5.051 5.318 1.664 1.00 0.00 C ATOM 741 O LYS A 63 4.809 5.288 2.863 1.00 0.00 O ATOM 742 CB LYS A 63 4.476 7.288 0.219 1.00 0.00 C ATOM 743 CG LYS A 63 4.688 8.282 1.346 1.00 0.00 C ATOM 744 CD LYS A 63 5.026 9.658 0.805 1.00 0.00 C ATOM 745 CE LYS A 63 3.793 10.378 0.284 1.00 0.00 C ATOM 746 NZ LYS A 63 4.138 11.696 -0.305 1.00 0.00 N ATOM 0 H LYS A 63 2.759 6.200 2.312 1.00 0.00 H new ATOM 0 HA LYS A 63 3.979 5.244 -0.185 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.403 7.194 -0.347 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.724 7.684 -0.463 1.00 0.00 H new ATOM 0 HG2 LYS A 63 3.788 8.340 1.958 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.493 7.935 1.994 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.490 10.254 1.591 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.758 9.564 0.003 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.301 9.761 -0.467 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.081 10.518 1.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.273 12.159 -0.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.585 12.294 0.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 4.798 11.560 -1.097 1.00 0.00 H new ATOM 760 N ASN A 64 6.178 4.853 1.156 1.00 0.00 N ATOM 761 CA ASN A 64 7.195 4.258 2.013 1.00 0.00 C ATOM 762 C ASN A 64 8.103 5.339 2.577 1.00 0.00 C ATOM 763 O ASN A 64 8.536 6.219 1.833 1.00 0.00 O ATOM 764 CB ASN A 64 8.015 3.219 1.246 1.00 0.00 C ATOM 765 CG ASN A 64 9.092 2.575 2.102 1.00 0.00 C ATOM 766 OD1 ASN A 64 8.846 1.591 2.795 1.00 0.00 O ATOM 767 ND2 ASN A 64 10.295 3.122 2.055 1.00 0.00 N ATOM 0 H ASN A 64 6.414 4.874 0.164 1.00 0.00 H new ATOM 0 HA ASN A 64 6.695 3.752 2.839 1.00 0.00 H new ATOM 0 HB2 ASN A 64 7.349 2.445 0.865 1.00 0.00 H new ATOM 0 HB3 ASN A 64 8.479 3.694 0.382 1.00 0.00 H new ATOM 0 HD21 ASN A 64 11.057 2.727 2.606 1.00 0.00 H new ATOM 0 HD22 ASN A 64 10.461 3.939 1.467 1.00 0.00 H new ATOM 774 N ALA A 65 8.364 5.269 3.883 1.00 0.00 N ATOM 775 CA ALA A 65 9.111 6.304 4.609 1.00 0.00 C ATOM 776 C ALA A 65 10.340 6.797 3.847 1.00 0.00 C ATOM 777 O ALA A 65 10.509 8.003 3.639 1.00 0.00 O ATOM 778 CB ALA A 65 9.525 5.777 5.973 1.00 0.00 C ATOM 0 H ALA A 65 8.064 4.492 4.471 1.00 0.00 H new ATOM 0 HA ALA A 65 8.444 7.159 4.721 1.00 0.00 H new ATOM 0 HB1 ALA A 65 10.079 6.548 6.508 1.00 0.00 H new ATOM 0 HB2 ALA A 65 8.637 5.506 6.544 1.00 0.00 H new ATOM 0 HB3 ALA A 65 10.157 4.898 5.847 1.00 0.00 H new ATOM 784 N SER A 66 11.190 5.867 3.445 1.00 0.00 N ATOM 785 CA SER A 66 12.387 6.199 2.694 1.00 0.00 C ATOM 786 C SER A 66 12.117 6.099 1.195 1.00 0.00 C ATOM 787 O SER A 66 11.410 5.201 0.739 1.00 0.00 O ATOM 788 CB SER A 66 13.533 5.261 3.092 1.00 0.00 C ATOM 789 OG SER A 66 14.693 5.485 2.300 1.00 0.00 O ATOM 0 H SER A 66 11.071 4.871 3.628 1.00 0.00 H new ATOM 0 HA SER A 66 12.675 7.224 2.926 1.00 0.00 H new ATOM 0 HB2 SER A 66 13.776 5.409 4.144 1.00 0.00 H new ATOM 0 HB3 SER A 66 13.211 4.225 2.982 1.00 0.00 H new ATOM 0 HG SER A 66 15.479 5.126 2.762 1.00 0.00 H new ATOM 795 N PRO A 67 12.654 7.046 0.412 1.00 0.00 N ATOM 796 CA PRO A 67 12.593 6.989 -1.047 1.00 0.00 C ATOM 797 C PRO A 67 13.634 6.030 -1.622 1.00 0.00 C ATOM 798 O PRO A 67 13.691 5.808 -2.833 1.00 0.00 O ATOM 799 CB PRO A 67 12.901 8.426 -1.460 1.00 0.00 C ATOM 800 CG PRO A 67 13.780 8.948 -0.377 1.00 0.00 C ATOM 801 CD PRO A 67 13.340 8.264 0.890 1.00 0.00 C ATOM 0 HA PRO A 67 11.633 6.623 -1.412 1.00 0.00 H new ATOM 0 HB2 PRO A 67 13.401 8.462 -2.428 1.00 0.00 H new ATOM 0 HB3 PRO A 67 11.989 9.017 -1.550 1.00 0.00 H new ATOM 0 HG2 PRO A 67 14.828 8.735 -0.590 1.00 0.00 H new ATOM 0 HG3 PRO A 67 13.686 10.030 -0.288 1.00 0.00 H new ATOM 0 HD2 PRO A 67 14.189 8.021 1.529 1.00 0.00 H new ATOM 0 HD3 PRO A 67 12.672 8.896 1.475 1.00 0.00 H new ATOM 809 N VAL A 68 14.459 5.469 -0.741 1.00 0.00 N ATOM 810 CA VAL A 68 15.517 4.558 -1.153 1.00 0.00 C ATOM 811 C VAL A 68 15.213 3.141 -0.680 1.00 0.00 C ATOM 812 O VAL A 68 14.907 2.263 -1.485 1.00 0.00 O ATOM 813 CB VAL A 68 16.890 4.989 -0.603 1.00 0.00 C ATOM 814 CG1 VAL A 68 17.995 4.198 -1.280 1.00 0.00 C ATOM 815 CG2 VAL A 68 17.101 6.484 -0.792 1.00 0.00 C ATOM 0 H VAL A 68 14.413 5.632 0.265 1.00 0.00 H new ATOM 0 HA VAL A 68 15.557 4.585 -2.242 1.00 0.00 H new ATOM 0 HB VAL A 68 16.919 4.779 0.466 1.00 0.00 H new ATOM 0 HG11 VAL A 68 18.961 4.510 -0.884 1.00 0.00 H new ATOM 0 HG12 VAL A 68 17.851 3.135 -1.089 1.00 0.00 H new ATOM 0 HG13 VAL A 68 17.967 4.380 -2.354 1.00 0.00 H new ATOM 0 HG21 VAL A 68 18.077 6.767 -0.397 1.00 0.00 H new ATOM 0 HG22 VAL A 68 17.056 6.726 -1.854 1.00 0.00 H new ATOM 0 HG23 VAL A 68 16.322 7.031 -0.261 1.00 0.00 H new ATOM 825 N HIS A 69 15.277 2.930 0.631 1.00 0.00 N ATOM 826 CA HIS A 69 15.036 1.605 1.199 1.00 0.00 C ATOM 827 C HIS A 69 13.582 1.479 1.627 1.00 0.00 C ATOM 828 O HIS A 69 12.897 2.479 1.819 1.00 0.00 O ATOM 829 CB HIS A 69 15.928 1.343 2.416 1.00 0.00 C ATOM 830 CG HIS A 69 17.396 1.526 2.171 1.00 0.00 C ATOM 831 ND1 HIS A 69 18.142 2.528 2.759 1.00 0.00 N ATOM 832 CD2 HIS A 69 18.264 0.814 1.414 1.00 0.00 C ATOM 833 CE1 HIS A 69 19.398 2.426 2.371 1.00 0.00 C ATOM 834 NE2 HIS A 69 19.497 1.396 1.557 1.00 0.00 N ATOM 0 H HIS A 69 15.492 3.653 1.317 1.00 0.00 H new ATOM 0 HA HIS A 69 15.270 0.872 0.427 1.00 0.00 H new ATOM 0 HB2 HIS A 69 15.623 2.009 3.223 1.00 0.00 H new ATOM 0 HB3 HIS A 69 15.756 0.324 2.762 1.00 0.00 H new ATOM 0 HD2 HIS A 69 18.029 -0.050 0.811 1.00 0.00 H new ATOM 0 HE1 HIS A 69 20.207 3.076 2.670 1.00 0.00 H new ATOM 0 HE2 HIS A 69 20.355 1.081 1.104 1.00 0.00 H new ATOM 843 N CYS A 70 13.132 0.252 1.805 1.00 0.00 N ATOM 844 CA CYS A 70 11.765 -0.009 2.226 1.00 0.00 C ATOM 845 C CYS A 70 11.707 -0.266 3.727 1.00 0.00 C ATOM 846 O CYS A 70 12.354 -1.182 4.237 1.00 0.00 O ATOM 847 CB CYS A 70 11.203 -1.200 1.450 1.00 0.00 C ATOM 848 SG CYS A 70 12.352 -2.591 1.308 1.00 0.00 S ATOM 0 H CYS A 70 13.696 -0.586 1.664 1.00 0.00 H new ATOM 0 HA CYS A 70 11.155 0.868 2.012 1.00 0.00 H new ATOM 0 HB2 CYS A 70 10.292 -1.543 1.940 1.00 0.00 H new ATOM 0 HB3 CYS A 70 10.922 -0.870 0.450 1.00 0.00 H new ATOM 0 HG CYS A 70 12.188 -3.394 2.317 1.00 0.00 H new ATOM 854 N ASN A 71 10.935 0.553 4.429 1.00 0.00 N ATOM 855 CA ASN A 71 10.822 0.441 5.877 1.00 0.00 C ATOM 856 C ASN A 71 9.371 0.207 6.261 1.00 0.00 C ATOM 857 O ASN A 71 8.915 -0.929 6.362 1.00 0.00 O ATOM 858 CB ASN A 71 11.325 1.706 6.588 1.00 0.00 C ATOM 859 CG ASN A 71 12.734 2.118 6.206 1.00 0.00 C ATOM 860 OD1 ASN A 71 13.576 1.288 5.868 1.00 0.00 O ATOM 861 ND2 ASN A 71 13.004 3.412 6.285 1.00 0.00 N ATOM 0 H ASN A 71 10.378 1.302 4.019 1.00 0.00 H new ATOM 0 HA ASN A 71 11.441 -0.399 6.190 1.00 0.00 H new ATOM 0 HB2 ASN A 71 10.645 2.529 6.365 1.00 0.00 H new ATOM 0 HB3 ASN A 71 11.286 1.543 7.665 1.00 0.00 H new ATOM 0 HD21 ASN A 71 13.939 3.752 6.061 1.00 0.00 H new ATOM 0 HD22 ASN A 71 12.277 4.068 6.570 1.00 0.00 H new ATOM 868 N TYR A 72 8.647 1.300 6.453 1.00 0.00 N ATOM 869 CA TYR A 72 7.238 1.240 6.800 1.00 0.00 C ATOM 870 C TYR A 72 6.448 2.132 5.862 1.00 0.00 C ATOM 871 O TYR A 72 7.026 2.910 5.098 1.00 0.00 O ATOM 872 CB TYR A 72 7.006 1.694 8.242 1.00 0.00 C ATOM 873 CG TYR A 72 7.854 0.971 9.263 1.00 0.00 C ATOM 874 CD1 TYR A 72 7.841 -0.416 9.352 1.00 0.00 C ATOM 875 CD2 TYR A 72 8.659 1.676 10.144 1.00 0.00 C ATOM 876 CE1 TYR A 72 8.609 -1.077 10.290 1.00 0.00 C ATOM 877 CE2 TYR A 72 9.430 1.023 11.083 1.00 0.00 C ATOM 878 CZ TYR A 72 9.402 -0.352 11.154 1.00 0.00 C ATOM 879 OH TYR A 72 10.160 -1.004 12.100 1.00 0.00 O ATOM 0 H TYR A 72 9.018 2.247 6.373 1.00 0.00 H new ATOM 0 HA TYR A 72 6.906 0.206 6.705 1.00 0.00 H new ATOM 0 HB2 TYR A 72 7.207 2.763 8.311 1.00 0.00 H new ATOM 0 HB3 TYR A 72 5.955 1.550 8.492 1.00 0.00 H new ATOM 0 HD1 TYR A 72 7.220 -0.986 8.677 1.00 0.00 H new ATOM 0 HD2 TYR A 72 8.683 2.755 10.094 1.00 0.00 H new ATOM 0 HE1 TYR A 72 8.589 -2.155 10.347 1.00 0.00 H new ATOM 0 HE2 TYR A 72 10.053 1.588 11.760 1.00 0.00 H new ATOM 0 HH TYR A 72 10.661 -0.347 12.627 1.00 0.00 H new ATOM 889 N LEU A 73 5.132 2.039 5.943 1.00 0.00 N ATOM 890 CA LEU A 73 4.262 2.806 5.071 1.00 0.00 C ATOM 891 C LEU A 73 3.652 3.983 5.814 1.00 0.00 C ATOM 892 O LEU A 73 2.946 3.808 6.809 1.00 0.00 O ATOM 893 CB LEU A 73 3.157 1.917 4.498 1.00 0.00 C ATOM 894 CG LEU A 73 3.615 0.885 3.468 1.00 0.00 C ATOM 895 CD1 LEU A 73 2.417 0.155 2.876 1.00 0.00 C ATOM 896 CD2 LEU A 73 4.435 1.556 2.376 1.00 0.00 C ATOM 0 H LEU A 73 4.642 1.438 6.606 1.00 0.00 H new ATOM 0 HA LEU A 73 4.865 3.191 4.249 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.672 1.393 5.321 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.403 2.555 4.038 1.00 0.00 H new ATOM 0 HG LEU A 73 4.247 0.150 3.967 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.761 -0.576 2.145 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.873 -0.355 3.671 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.758 0.873 2.388 1.00 0.00 H new ATOM 0 HD21 LEU A 73 4.754 0.809 1.650 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.828 2.311 1.877 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.311 2.030 2.818 1.00 0.00 H new ATOM 908 N LYS A 74 3.933 5.178 5.320 1.00 0.00 N ATOM 909 CA LYS A 74 3.397 6.400 5.892 1.00 0.00 C ATOM 910 C LYS A 74 2.153 6.802 5.111 1.00 0.00 C ATOM 911 O LYS A 74 2.247 7.293 3.982 1.00 0.00 O ATOM 912 CB LYS A 74 4.439 7.526 5.827 1.00 0.00 C ATOM 913 CG LYS A 74 5.813 7.173 6.401 1.00 0.00 C ATOM 914 CD LYS A 74 5.812 7.070 7.922 1.00 0.00 C ATOM 915 CE LYS A 74 5.230 5.753 8.410 1.00 0.00 C ATOM 916 NZ LYS A 74 5.296 5.628 9.888 1.00 0.00 N ATOM 0 H LYS A 74 4.538 5.327 4.513 1.00 0.00 H new ATOM 0 HA LYS A 74 3.143 6.229 6.938 1.00 0.00 H new ATOM 0 HB2 LYS A 74 4.563 7.825 4.786 1.00 0.00 H new ATOM 0 HB3 LYS A 74 4.050 8.391 6.363 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.145 6.225 5.978 1.00 0.00 H new ATOM 0 HG3 LYS A 74 6.535 7.930 6.094 1.00 0.00 H new ATOM 0 HD2 LYS A 74 6.832 7.173 8.292 1.00 0.00 H new ATOM 0 HD3 LYS A 74 5.237 7.896 8.340 1.00 0.00 H new ATOM 0 HE2 LYS A 74 4.192 5.673 8.086 1.00 0.00 H new ATOM 0 HE3 LYS A 74 5.772 4.926 7.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 4.889 4.716 10.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 6.288 5.678 10.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 4.758 6.402 10.326 1.00 0.00 H new ATOM 930 N CYS A 75 0.993 6.575 5.698 1.00 0.00 N ATOM 931 CA CYS A 75 -0.261 6.815 5.003 1.00 0.00 C ATOM 932 C CYS A 75 -0.888 8.132 5.431 1.00 0.00 C ATOM 933 O CYS A 75 -0.665 8.610 6.547 1.00 0.00 O ATOM 934 CB CYS A 75 -1.241 5.678 5.282 1.00 0.00 C ATOM 935 SG CYS A 75 -0.572 3.997 5.027 1.00 0.00 S ATOM 0 H CYS A 75 0.891 6.226 6.651 1.00 0.00 H new ATOM 0 HA CYS A 75 -0.044 6.864 3.936 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -1.587 5.762 6.312 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -2.114 5.806 4.641 1.00 0.00 H new ATOM 940 N THR A 76 -1.668 8.717 4.537 1.00 0.00 N ATOM 941 CA THR A 76 -2.443 9.897 4.853 1.00 0.00 C ATOM 942 C THR A 76 -3.868 9.722 4.345 1.00 0.00 C ATOM 943 O THR A 76 -4.112 8.911 3.445 1.00 0.00 O ATOM 944 CB THR A 76 -1.815 11.174 4.245 1.00 0.00 C ATOM 945 OG1 THR A 76 -2.515 12.336 4.708 1.00 0.00 O ATOM 946 CG2 THR A 76 -1.850 11.140 2.723 1.00 0.00 C ATOM 0 H THR A 76 -1.779 8.387 3.578 1.00 0.00 H new ATOM 0 HA THR A 76 -2.450 10.018 5.936 1.00 0.00 H new ATOM 0 HB THR A 76 -0.774 11.216 4.567 1.00 0.00 H new ATOM 0 HG1 THR A 76 -2.109 13.139 4.319 1.00 0.00 H new ATOM 0 HG21 THR A 76 -1.401 12.052 2.328 1.00 0.00 H new ATOM 0 HG22 THR A 76 -1.290 10.276 2.365 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.884 11.068 2.384 1.00 0.00 H new ATOM 954 N ASN A 77 -4.798 10.472 4.928 1.00 0.00 N ATOM 955 CA ASN A 77 -6.213 10.397 4.561 1.00 0.00 C ATOM 956 C ASN A 77 -6.761 8.991 4.776 1.00 0.00 C ATOM 957 O ASN A 77 -7.388 8.417 3.887 1.00 0.00 O ATOM 958 CB ASN A 77 -6.428 10.833 3.104 1.00 0.00 C ATOM 959 CG ASN A 77 -6.247 12.326 2.902 1.00 0.00 C ATOM 960 OD1 ASN A 77 -6.555 13.129 3.784 1.00 0.00 O ATOM 961 ND2 ASN A 77 -5.738 12.711 1.741 1.00 0.00 N ATOM 0 H ASN A 77 -4.596 11.147 5.665 1.00 0.00 H new ATOM 0 HA ASN A 77 -6.758 11.082 5.210 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -5.728 10.297 2.463 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -7.432 10.548 2.789 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -5.589 13.702 1.553 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -5.495 12.016 1.035 1.00 0.00 H new ATOM 968 N LEU A 78 -6.509 8.439 5.959 1.00 0.00 N ATOM 969 CA LEU A 78 -7.011 7.119 6.314 1.00 0.00 C ATOM 970 C LEU A 78 -8.534 7.139 6.403 1.00 0.00 C ATOM 971 O LEU A 78 -9.127 8.107 6.890 1.00 0.00 O ATOM 972 CB LEU A 78 -6.415 6.665 7.649 1.00 0.00 C ATOM 973 CG LEU A 78 -4.893 6.504 7.666 1.00 0.00 C ATOM 974 CD1 LEU A 78 -4.416 6.097 9.049 1.00 0.00 C ATOM 975 CD2 LEU A 78 -4.459 5.480 6.630 1.00 0.00 C ATOM 0 H LEU A 78 -5.958 8.889 6.690 1.00 0.00 H new ATOM 0 HA LEU A 78 -6.712 6.415 5.538 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.696 7.386 8.417 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.868 5.712 7.925 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.440 7.463 7.416 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.332 5.987 9.042 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -4.699 6.863 9.771 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -4.875 5.148 9.328 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.374 5.376 6.653 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -4.921 4.518 6.853 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.770 5.810 5.639 1.00 0.00 H new ATOM 987 N ALA A 79 -9.165 6.076 5.930 1.00 0.00 N ATOM 988 CA ALA A 79 -10.616 5.996 5.923 1.00 0.00 C ATOM 989 C ALA A 79 -11.120 5.223 7.135 1.00 0.00 C ATOM 990 O ALA A 79 -11.443 4.038 7.041 1.00 0.00 O ATOM 991 CB ALA A 79 -11.117 5.371 4.623 1.00 0.00 C ATOM 0 H ALA A 79 -8.694 5.257 5.546 1.00 0.00 H new ATOM 0 HA ALA A 79 -11.015 7.009 5.983 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -12.206 5.321 4.639 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -10.794 5.980 3.779 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.709 4.365 4.522 1.00 0.00 H new ATOM 997 N ALA A 80 -11.150 5.911 8.276 1.00 0.00 N ATOM 998 CA ALA A 80 -11.663 5.361 9.533 1.00 0.00 C ATOM 999 C ALA A 80 -10.772 4.243 10.068 1.00 0.00 C ATOM 1000 O ALA A 80 -9.993 4.454 10.997 1.00 0.00 O ATOM 1001 CB ALA A 80 -13.100 4.879 9.376 1.00 0.00 C ATOM 0 H ALA A 80 -10.817 6.872 8.356 1.00 0.00 H new ATOM 0 HA ALA A 80 -11.652 6.168 10.265 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -13.454 4.476 10.325 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -13.733 5.714 9.077 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -13.142 4.101 8.613 1.00 0.00 H new ATOM 1007 N GLY A 81 -10.893 3.062 9.484 1.00 0.00 N ATOM 1008 CA GLY A 81 -10.073 1.941 9.891 1.00 0.00 C ATOM 1009 C GLY A 81 -9.223 1.420 8.754 1.00 0.00 C ATOM 1010 O GLY A 81 -8.290 0.641 8.967 1.00 0.00 O ATOM 0 H GLY A 81 -11.549 2.859 8.730 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -9.429 2.244 10.716 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -10.712 1.140 10.263 1.00 0.00 H new ATOM 1014 N PHE A 82 -9.539 1.857 7.542 1.00 0.00 N ATOM 1015 CA PHE A 82 -8.800 1.430 6.368 1.00 0.00 C ATOM 1016 C PHE A 82 -7.416 2.057 6.364 1.00 0.00 C ATOM 1017 O PHE A 82 -7.274 3.281 6.325 1.00 0.00 O ATOM 1018 CB PHE A 82 -9.549 1.794 5.088 1.00 0.00 C ATOM 1019 CG PHE A 82 -10.903 1.150 4.982 1.00 0.00 C ATOM 1020 CD1 PHE A 82 -11.026 -0.229 4.977 1.00 0.00 C ATOM 1021 CD2 PHE A 82 -12.049 1.921 4.891 1.00 0.00 C ATOM 1022 CE1 PHE A 82 -12.267 -0.826 4.880 1.00 0.00 C ATOM 1023 CE2 PHE A 82 -13.293 1.328 4.793 1.00 0.00 C ATOM 1024 CZ PHE A 82 -13.401 -0.047 4.787 1.00 0.00 C ATOM 0 H PHE A 82 -10.302 2.506 7.349 1.00 0.00 H new ATOM 0 HA PHE A 82 -8.698 0.345 6.405 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -9.666 2.877 5.040 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -8.947 1.500 4.228 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -10.141 -0.844 5.050 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -11.970 2.998 4.897 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -12.350 -1.903 4.877 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -14.180 1.940 4.721 1.00 0.00 H new ATOM 0 HZ PHE A 82 -14.372 -0.513 4.710 1.00 0.00 H new ATOM 1034 N SER A 83 -6.404 1.208 6.415 1.00 0.00 N ATOM 1035 CA SER A 83 -5.024 1.654 6.477 1.00 0.00 C ATOM 1036 C SER A 83 -4.122 0.617 5.835 1.00 0.00 C ATOM 1037 O SER A 83 -4.566 -0.475 5.497 1.00 0.00 O ATOM 1038 CB SER A 83 -4.618 1.899 7.931 1.00 0.00 C ATOM 1039 OG SER A 83 -5.185 0.922 8.792 1.00 0.00 O ATOM 0 H SER A 83 -6.516 0.194 6.415 1.00 0.00 H new ATOM 0 HA SER A 83 -4.922 2.591 5.930 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.532 1.877 8.017 1.00 0.00 H new ATOM 0 HB3 SER A 83 -4.942 2.893 8.240 1.00 0.00 H new ATOM 0 HG SER A 83 -4.909 1.100 9.715 1.00 0.00 H new ATOM 1045 N ALA A 84 -2.862 0.956 5.662 1.00 0.00 N ATOM 1046 CA ALA A 84 -1.922 0.055 5.019 1.00 0.00 C ATOM 1047 C ALA A 84 -1.210 -0.803 6.055 1.00 0.00 C ATOM 1048 O ALA A 84 -1.209 -0.483 7.245 1.00 0.00 O ATOM 1049 CB ALA A 84 -0.917 0.836 4.193 1.00 0.00 C ATOM 0 H ALA A 84 -2.463 1.847 5.956 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.478 -0.603 4.352 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -0.221 0.145 3.718 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.441 1.406 3.426 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -0.366 1.519 4.840 1.00 0.00 H new ATOM 1055 N GLY A 85 -0.597 -1.882 5.592 1.00 0.00 N ATOM 1056 CA GLY A 85 0.010 -2.831 6.499 1.00 0.00 C ATOM 1057 C GLY A 85 1.525 -2.851 6.429 1.00 0.00 C ATOM 1058 O GLY A 85 2.195 -2.555 7.414 1.00 0.00 O ATOM 0 H GLY A 85 -0.510 -2.117 4.603 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.296 -2.594 7.518 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.369 -3.828 6.276 1.00 0.00 H new ATOM 1062 N THR A 86 2.060 -3.215 5.267 1.00 0.00 N ATOM 1063 CA THR A 86 3.501 -3.364 5.096 1.00 0.00 C ATOM 1064 C THR A 86 3.824 -3.671 3.628 1.00 0.00 C ATOM 1065 O THR A 86 2.945 -3.590 2.767 1.00 0.00 O ATOM 1066 CB THR A 86 4.045 -4.490 6.012 1.00 0.00 C ATOM 1067 OG1 THR A 86 5.475 -4.521 5.980 1.00 0.00 O ATOM 1068 CG2 THR A 86 3.493 -5.850 5.599 1.00 0.00 C ATOM 0 H THR A 86 1.515 -3.413 4.428 1.00 0.00 H new ATOM 0 HA THR A 86 3.985 -2.429 5.378 1.00 0.00 H new ATOM 0 HB THR A 86 3.716 -4.275 7.028 1.00 0.00 H new ATOM 0 HG1 THR A 86 5.800 -5.237 6.565 1.00 0.00 H new ATOM 0 HG21 THR A 86 3.892 -6.620 6.259 1.00 0.00 H new ATOM 0 HG22 THR A 86 2.405 -5.838 5.671 1.00 0.00 H new ATOM 0 HG23 THR A 86 3.787 -6.065 4.572 1.00 0.00 H new ATOM 1076 N SER A 87 5.078 -4.006 3.347 1.00 0.00 N ATOM 1077 CA SER A 87 5.496 -4.371 2.001 1.00 0.00 C ATOM 1078 C SER A 87 6.271 -5.690 2.041 1.00 0.00 C ATOM 1079 O SER A 87 7.022 -5.943 2.986 1.00 0.00 O ATOM 1080 CB SER A 87 6.364 -3.259 1.406 1.00 0.00 C ATOM 1081 OG SER A 87 5.690 -2.010 1.434 1.00 0.00 O ATOM 0 H SER A 87 5.827 -4.032 4.039 1.00 0.00 H new ATOM 0 HA SER A 87 4.615 -4.500 1.372 1.00 0.00 H new ATOM 0 HB2 SER A 87 7.297 -3.184 1.965 1.00 0.00 H new ATOM 0 HB3 SER A 87 6.627 -3.510 0.378 1.00 0.00 H new ATOM 0 HG SER A 87 6.095 -1.405 0.778 1.00 0.00 H new ATOM 1087 N THR A 88 6.087 -6.529 1.024 1.00 0.00 N ATOM 1088 CA THR A 88 6.715 -7.848 0.995 1.00 0.00 C ATOM 1089 C THR A 88 7.182 -8.220 -0.410 1.00 0.00 C ATOM 1090 O THR A 88 7.349 -7.353 -1.269 1.00 0.00 O ATOM 1091 CB THR A 88 5.737 -8.931 1.470 1.00 0.00 C ATOM 1092 OG1 THR A 88 4.528 -8.870 0.699 1.00 0.00 O ATOM 1093 CG2 THR A 88 5.409 -8.777 2.945 1.00 0.00 C ATOM 0 H THR A 88 5.509 -6.319 0.210 1.00 0.00 H new ATOM 0 HA THR A 88 7.575 -7.795 1.663 1.00 0.00 H new ATOM 0 HB THR A 88 6.217 -9.899 1.328 1.00 0.00 H new ATOM 0 HG1 THR A 88 3.863 -8.331 1.176 1.00 0.00 H new ATOM 0 HG21 THR A 88 4.714 -9.561 3.247 1.00 0.00 H new ATOM 0 HG22 THR A 88 6.324 -8.858 3.532 1.00 0.00 H new ATOM 0 HG23 THR A 88 4.953 -7.802 3.116 1.00 0.00 H new ATOM 1101 N ASP A 89 7.390 -9.527 -0.611 1.00 0.00 N ATOM 1102 CA ASP A 89 7.667 -10.124 -1.924 1.00 0.00 C ATOM 1103 C ASP A 89 8.987 -9.642 -2.514 1.00 0.00 C ATOM 1104 O ASP A 89 10.004 -10.322 -2.408 1.00 0.00 O ATOM 1105 CB ASP A 89 6.515 -9.851 -2.895 1.00 0.00 C ATOM 1106 CG ASP A 89 6.696 -10.533 -4.239 1.00 0.00 C ATOM 1107 OD1 ASP A 89 6.264 -11.694 -4.384 1.00 0.00 O ATOM 1108 OD2 ASP A 89 7.257 -9.899 -5.159 1.00 0.00 O ATOM 0 H ASP A 89 7.370 -10.211 0.146 1.00 0.00 H new ATOM 0 HA ASP A 89 7.756 -11.200 -1.772 1.00 0.00 H new ATOM 0 HB2 ASP A 89 5.581 -10.189 -2.446 1.00 0.00 H new ATOM 0 HB3 ASP A 89 6.424 -8.776 -3.049 1.00 0.00 H new ATOM 1113 N VAL A 90 8.976 -8.460 -3.108 1.00 0.00 N ATOM 1114 CA VAL A 90 10.152 -7.930 -3.774 1.00 0.00 C ATOM 1115 C VAL A 90 11.295 -7.732 -2.795 1.00 0.00 C ATOM 1116 O VAL A 90 12.452 -7.986 -3.117 1.00 0.00 O ATOM 1117 CB VAL A 90 9.846 -6.598 -4.478 1.00 0.00 C ATOM 1118 CG1 VAL A 90 9.345 -6.836 -5.892 1.00 0.00 C ATOM 1119 CG2 VAL A 90 8.824 -5.814 -3.678 1.00 0.00 C ATOM 0 H VAL A 90 8.161 -7.848 -3.142 1.00 0.00 H new ATOM 0 HA VAL A 90 10.449 -8.663 -4.524 1.00 0.00 H new ATOM 0 HB VAL A 90 10.767 -6.019 -4.540 1.00 0.00 H new ATOM 0 HG11 VAL A 90 9.135 -5.879 -6.370 1.00 0.00 H new ATOM 0 HG12 VAL A 90 10.106 -7.367 -6.463 1.00 0.00 H new ATOM 0 HG13 VAL A 90 8.433 -7.433 -5.859 1.00 0.00 H new ATOM 0 HG21 VAL A 90 8.612 -4.871 -4.183 1.00 0.00 H new ATOM 0 HG22 VAL A 90 7.905 -6.395 -3.593 1.00 0.00 H new ATOM 0 HG23 VAL A 90 9.219 -5.612 -2.682 1.00 0.00 H new ATOM 1129 N LEU A 91 10.965 -7.288 -1.591 1.00 0.00 N ATOM 1130 CA LEU A 91 11.981 -7.065 -0.577 1.00 0.00 C ATOM 1131 C LEU A 91 12.252 -8.328 0.240 1.00 0.00 C ATOM 1132 O LEU A 91 13.402 -8.599 0.583 1.00 0.00 O ATOM 1133 CB LEU A 91 11.599 -5.886 0.325 1.00 0.00 C ATOM 1134 CG LEU A 91 10.294 -6.029 1.109 1.00 0.00 C ATOM 1135 CD1 LEU A 91 10.567 -6.466 2.540 1.00 0.00 C ATOM 1136 CD2 LEU A 91 9.525 -4.721 1.087 1.00 0.00 C ATOM 0 H LEU A 91 10.012 -7.077 -1.296 1.00 0.00 H new ATOM 0 HA LEU A 91 12.909 -6.811 -1.089 1.00 0.00 H new ATOM 0 HB2 LEU A 91 12.409 -5.722 1.036 1.00 0.00 H new ATOM 0 HB3 LEU A 91 11.531 -4.990 -0.293 1.00 0.00 H new ATOM 0 HG LEU A 91 9.688 -6.799 0.632 1.00 0.00 H new ATOM 0 HD11 LEU A 91 9.624 -6.561 3.078 1.00 0.00 H new ATOM 0 HD12 LEU A 91 11.080 -7.428 2.535 1.00 0.00 H new ATOM 0 HD13 LEU A 91 11.193 -5.723 3.034 1.00 0.00 H new ATOM 0 HD21 LEU A 91 8.598 -4.835 1.648 1.00 0.00 H new ATOM 0 HD22 LEU A 91 10.130 -3.936 1.541 1.00 0.00 H new ATOM 0 HD23 LEU A 91 9.295 -4.452 0.056 1.00 0.00 H new ATOM 1148 N SER A 92 11.209 -9.109 0.544 1.00 0.00 N ATOM 1149 CA SER A 92 11.396 -10.324 1.332 1.00 0.00 C ATOM 1150 C SER A 92 11.725 -11.517 0.432 1.00 0.00 C ATOM 1151 O SER A 92 12.883 -11.919 0.319 1.00 0.00 O ATOM 1152 CB SER A 92 10.143 -10.622 2.149 1.00 0.00 C ATOM 1153 OG SER A 92 9.631 -9.448 2.754 1.00 0.00 O ATOM 0 H SER A 92 10.247 -8.924 0.261 1.00 0.00 H new ATOM 0 HA SER A 92 12.235 -10.161 2.008 1.00 0.00 H new ATOM 0 HB2 SER A 92 9.382 -11.063 1.504 1.00 0.00 H new ATOM 0 HB3 SER A 92 10.375 -11.359 2.918 1.00 0.00 H new ATOM 0 HG SER A 92 8.827 -9.669 3.269 1.00 0.00 H new