USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 740 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 121 SER OG : rot 40:sc= 0.873 USER MOD Set 1.2: A 123 SER OG : rot 34:sc= 0.655 USER MOD Set 2.1: A 65 SER OG : rot 0:sc= -0.217 USER MOD Set 2.2: A 87 MET CE :methyl -152:sc= -3.09! (180deg=-1.69!) USER MOD Set 3.1: A 46 SER OG : rot 112:sc= 1.76 USER MOD Set 3.2: A 48 THR OG1 : rot 79:sc= 1.92 USER MOD Set 3.3: A 49 SER OG : rot 86:sc= 0.956 USER MOD Set 3.4: A 105 GLN : amide:sc= 1.2 K(o=5.8,f=2.4) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 23:sc= -4.22! USER MOD Single : A 44 ASN : amide:sc= -5.2! C(o=-5.2!,f=-2.6!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= -3.62! C(o=-3.6!,f=-5.4!) USER MOD Single : A 69 TYR OH : rot 148:sc= 0.0238 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.49 USER MOD Single : A 76 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00451) USER MOD Single : A 77 LYS NZ :NH3+ 156:sc= -0.084 (180deg=-0.566) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= -1.18 X(o=-1.2,f=-1.6) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -1.26 K(o=-1.3,f=-2.5!) USER MOD Single : A 108 MET CE :methyl 163:sc= -2.35! (180deg=-3.11!) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 136:sc= -1.87 (180deg=-4.51!) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 126 SER OG : rot 180:sc= -0.103 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 30 -13.471 20.262 -8.086 1.00 0.00 N ATOM 2 CA GLY A 30 -14.915 20.216 -8.225 1.00 0.00 C ATOM 3 C GLY A 30 -15.615 21.243 -7.358 1.00 0.00 C ATOM 4 O GLY A 30 -16.426 20.893 -6.501 1.00 0.00 O ATOM 0 HA2 GLY A 30 -15.182 20.384 -9.268 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -15.271 19.220 -7.961 1.00 0.00 H new ATOM 8 N SER A 31 -15.299 22.516 -7.579 1.00 0.00 N ATOM 9 CA SER A 31 -15.899 23.597 -6.807 1.00 0.00 C ATOM 10 C SER A 31 -15.587 23.443 -5.322 1.00 0.00 C ATOM 11 O SER A 31 -16.450 23.653 -4.469 1.00 0.00 O ATOM 12 CB SER A 31 -17.414 23.626 -7.021 1.00 0.00 C ATOM 13 OG SER A 31 -17.746 24.293 -8.226 1.00 0.00 O ATOM 0 H SER A 31 -14.631 22.823 -8.286 1.00 0.00 H new ATOM 0 HA SER A 31 -15.472 24.538 -7.154 1.00 0.00 H new ATOM 0 HB2 SER A 31 -17.800 22.607 -7.047 1.00 0.00 H new ATOM 0 HB3 SER A 31 -17.894 24.127 -6.180 1.00 0.00 H new ATOM 0 HG SER A 31 -18.719 24.297 -8.341 1.00 0.00 H new ATOM 19 N SER A 32 -14.346 23.074 -5.019 1.00 0.00 N ATOM 20 CA SER A 32 -13.920 22.887 -3.638 1.00 0.00 C ATOM 21 C SER A 32 -12.417 22.634 -3.563 1.00 0.00 C ATOM 22 O SER A 32 -11.903 21.694 -4.167 1.00 0.00 O ATOM 23 CB SER A 32 -14.677 21.720 -3.001 1.00 0.00 C ATOM 24 OG SER A 32 -14.425 21.648 -1.608 1.00 0.00 O ATOM 0 H SER A 32 -13.618 22.899 -5.712 1.00 0.00 H new ATOM 0 HA SER A 32 -14.146 23.800 -3.088 1.00 0.00 H new ATOM 0 HB2 SER A 32 -15.747 21.838 -3.175 1.00 0.00 H new ATOM 0 HB3 SER A 32 -14.378 20.786 -3.477 1.00 0.00 H new ATOM 0 HG SER A 32 -14.921 20.895 -1.224 1.00 0.00 H new ATOM 30 N GLY A 33 -11.717 23.482 -2.815 1.00 0.00 N ATOM 31 CA GLY A 33 -10.280 23.335 -2.674 1.00 0.00 C ATOM 32 C GLY A 33 -9.885 22.761 -1.328 1.00 0.00 C ATOM 33 O GLY A 33 -9.986 21.555 -1.106 1.00 0.00 O ATOM 0 H GLY A 33 -12.119 24.268 -2.304 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -9.905 22.687 -3.466 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.804 24.307 -2.805 1.00 0.00 H new ATOM 37 N SER A 34 -9.433 23.627 -0.427 1.00 0.00 N ATOM 38 CA SER A 34 -9.016 23.199 0.903 1.00 0.00 C ATOM 39 C SER A 34 -8.014 22.052 0.815 1.00 0.00 C ATOM 40 O SER A 34 -8.128 21.056 1.530 1.00 0.00 O ATOM 41 CB SER A 34 -10.230 22.767 1.727 1.00 0.00 C ATOM 42 OG SER A 34 -10.780 23.863 2.437 1.00 0.00 O ATOM 0 H SER A 34 -9.346 24.630 -0.594 1.00 0.00 H new ATOM 0 HA SER A 34 -8.534 24.044 1.395 1.00 0.00 H new ATOM 0 HB2 SER A 34 -10.987 22.339 1.069 1.00 0.00 H new ATOM 0 HB3 SER A 34 -9.938 21.985 2.428 1.00 0.00 H new ATOM 0 HG SER A 34 -11.556 23.561 2.955 1.00 0.00 H new ATOM 48 N SER A 35 -7.030 22.200 -0.067 1.00 0.00 N ATOM 49 CA SER A 35 -6.009 21.175 -0.253 1.00 0.00 C ATOM 50 C SER A 35 -4.620 21.801 -0.327 1.00 0.00 C ATOM 51 O SER A 35 -4.477 22.996 -0.580 1.00 0.00 O ATOM 52 CB SER A 35 -6.288 20.372 -1.524 1.00 0.00 C ATOM 53 OG SER A 35 -5.762 19.060 -1.424 1.00 0.00 O ATOM 0 H SER A 35 -6.918 23.020 -0.664 1.00 0.00 H new ATOM 0 HA SER A 35 -6.041 20.504 0.605 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.363 20.324 -1.699 1.00 0.00 H new ATOM 0 HB3 SER A 35 -5.848 20.879 -2.382 1.00 0.00 H new ATOM 0 HG SER A 35 -5.955 18.566 -2.248 1.00 0.00 H new ATOM 59 N GLY A 36 -3.596 20.982 -0.104 1.00 0.00 N ATOM 60 CA GLY A 36 -2.231 21.472 -0.150 1.00 0.00 C ATOM 61 C GLY A 36 -1.214 20.349 -0.205 1.00 0.00 C ATOM 62 O GLY A 36 -0.276 20.391 -1.001 1.00 0.00 O ATOM 0 H GLY A 36 -3.688 19.988 0.108 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -2.107 22.113 -1.023 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -2.040 22.089 0.728 1.00 0.00 H new ATOM 66 N SER A 37 -1.398 19.343 0.644 1.00 0.00 N ATOM 67 CA SER A 37 -0.486 18.206 0.693 1.00 0.00 C ATOM 68 C SER A 37 -1.155 16.949 0.146 1.00 0.00 C ATOM 69 O SER A 37 -2.237 16.565 0.589 1.00 0.00 O ATOM 70 CB SER A 37 -0.015 17.965 2.128 1.00 0.00 C ATOM 71 OG SER A 37 -1.062 17.441 2.927 1.00 0.00 O ATOM 0 H SER A 37 -2.171 19.292 1.308 1.00 0.00 H new ATOM 0 HA SER A 37 0.378 18.437 0.069 1.00 0.00 H new ATOM 0 HB2 SER A 37 0.827 17.273 2.126 1.00 0.00 H new ATOM 0 HB3 SER A 37 0.342 18.900 2.559 1.00 0.00 H new ATOM 0 HG SER A 37 -1.729 17.012 2.352 1.00 0.00 H new ATOM 77 N GLY A 38 -0.503 16.311 -0.821 1.00 0.00 N ATOM 78 CA GLY A 38 -1.048 15.104 -1.413 1.00 0.00 C ATOM 79 C GLY A 38 -0.665 13.856 -0.642 1.00 0.00 C ATOM 80 O GLY A 38 -0.269 12.851 -1.233 1.00 0.00 O ATOM 0 H GLY A 38 0.394 16.609 -1.205 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -2.134 15.182 -1.455 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.695 15.015 -2.440 1.00 0.00 H new ATOM 84 N ARG A 39 -0.782 13.920 0.680 1.00 0.00 N ATOM 85 CA ARG A 39 -0.442 12.787 1.532 1.00 0.00 C ATOM 86 C ARG A 39 -1.566 11.755 1.539 1.00 0.00 C ATOM 87 O ARG A 39 -2.745 12.105 1.471 1.00 0.00 O ATOM 88 CB ARG A 39 -0.162 13.261 2.960 1.00 0.00 C ATOM 89 CG ARG A 39 0.361 12.166 3.874 1.00 0.00 C ATOM 90 CD ARG A 39 0.930 12.739 5.162 1.00 0.00 C ATOM 91 NE ARG A 39 1.758 11.770 5.874 1.00 0.00 N ATOM 92 CZ ARG A 39 2.614 12.100 6.835 1.00 0.00 C ATOM 93 NH1 ARG A 39 2.754 13.368 7.196 1.00 0.00 N ATOM 94 NH2 ARG A 39 3.332 11.160 7.436 1.00 0.00 N ATOM 0 H ARG A 39 -1.109 14.744 1.184 1.00 0.00 H new ATOM 0 HA ARG A 39 0.456 12.318 1.129 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.564 14.073 2.928 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -1.079 13.670 3.384 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -0.445 11.471 4.109 1.00 0.00 H new ATOM 0 HG3 ARG A 39 1.132 11.596 3.356 1.00 0.00 H new ATOM 0 HD2 ARG A 39 1.524 13.624 4.934 1.00 0.00 H new ATOM 0 HD3 ARG A 39 0.113 13.061 5.807 1.00 0.00 H new ATOM 0 HE ARG A 39 1.675 10.786 5.620 1.00 0.00 H new ATOM 0 HH11 ARG A 39 2.204 14.093 6.736 1.00 0.00 H new ATOM 0 HH12 ARG A 39 3.412 13.618 7.934 1.00 0.00 H new ATOM 0 HH21 ARG A 39 3.227 10.184 7.160 1.00 0.00 H new ATOM 0 HH22 ARG A 39 3.989 11.414 8.174 1.00 0.00 H new ATOM 108 N LEU A 40 -1.194 10.483 1.622 1.00 0.00 N ATOM 109 CA LEU A 40 -2.170 9.399 1.637 1.00 0.00 C ATOM 110 C LEU A 40 -1.785 8.333 2.658 1.00 0.00 C ATOM 111 O LEU A 40 -0.604 8.132 2.946 1.00 0.00 O ATOM 112 CB LEU A 40 -2.287 8.772 0.247 1.00 0.00 C ATOM 113 CG LEU A 40 -2.691 9.718 -0.884 1.00 0.00 C ATOM 114 CD1 LEU A 40 -2.450 9.066 -2.237 1.00 0.00 C ATOM 115 CD2 LEU A 40 -4.149 10.129 -0.741 1.00 0.00 C ATOM 0 H LEU A 40 -0.223 10.176 1.680 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.135 9.817 1.922 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.328 8.321 -0.008 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.016 7.963 0.295 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.074 10.614 -0.820 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.743 9.754 -3.030 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.393 8.823 -2.340 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.041 8.153 -2.312 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.419 10.802 -1.555 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.782 9.243 -0.778 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.292 10.637 0.213 1.00 0.00 H new ATOM 127 N PHE A 41 -2.787 7.650 3.200 1.00 0.00 N ATOM 128 CA PHE A 41 -2.553 6.603 4.187 1.00 0.00 C ATOM 129 C PHE A 41 -2.751 5.220 3.572 1.00 0.00 C ATOM 130 O PHE A 41 -3.873 4.823 3.256 1.00 0.00 O ATOM 131 CB PHE A 41 -3.492 6.780 5.382 1.00 0.00 C ATOM 132 CG PHE A 41 -3.280 5.763 6.467 1.00 0.00 C ATOM 133 CD1 PHE A 41 -2.001 5.440 6.892 1.00 0.00 C ATOM 134 CD2 PHE A 41 -4.360 5.130 7.062 1.00 0.00 C ATOM 135 CE1 PHE A 41 -1.803 4.505 7.890 1.00 0.00 C ATOM 136 CE2 PHE A 41 -4.167 4.195 8.062 1.00 0.00 C ATOM 137 CZ PHE A 41 -2.887 3.881 8.475 1.00 0.00 C ATOM 0 H PHE A 41 -3.769 7.803 2.972 1.00 0.00 H new ATOM 0 HA PHE A 41 -1.521 6.685 4.528 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -3.353 7.778 5.798 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -4.524 6.720 5.035 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -1.149 5.925 6.438 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -5.363 5.370 6.741 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -0.801 4.262 8.212 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -5.017 3.710 8.520 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.734 3.149 9.254 1.00 0.00 H new ATOM 147 N VAL A 42 -1.652 4.492 3.403 1.00 0.00 N ATOM 148 CA VAL A 42 -1.703 3.154 2.826 1.00 0.00 C ATOM 149 C VAL A 42 -1.352 2.094 3.863 1.00 0.00 C ATOM 150 O VAL A 42 -0.359 2.217 4.580 1.00 0.00 O ATOM 151 CB VAL A 42 -0.743 3.022 1.628 1.00 0.00 C ATOM 152 CG1 VAL A 42 -0.925 1.676 0.944 1.00 0.00 C ATOM 153 CG2 VAL A 42 -0.959 4.163 0.645 1.00 0.00 C ATOM 0 H VAL A 42 -0.716 4.806 3.657 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.725 2.997 2.482 1.00 0.00 H new ATOM 0 HB VAL A 42 0.281 3.079 1.997 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.239 1.601 0.100 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.716 0.876 1.654 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.951 1.585 0.587 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.273 4.054 -0.195 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.986 4.139 0.280 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.773 5.114 1.145 1.00 0.00 H new ATOM 163 N ARG A 43 -2.173 1.052 3.938 1.00 0.00 N ATOM 164 CA ARG A 43 -1.950 -0.031 4.889 1.00 0.00 C ATOM 165 C ARG A 43 -2.104 -1.390 4.212 1.00 0.00 C ATOM 166 O ARG A 43 -2.497 -1.474 3.049 1.00 0.00 O ATOM 167 CB ARG A 43 -2.927 0.081 6.060 1.00 0.00 C ATOM 168 CG ARG A 43 -4.366 -0.235 5.685 1.00 0.00 C ATOM 169 CD ARG A 43 -5.318 0.053 6.836 1.00 0.00 C ATOM 170 NE ARG A 43 -5.422 -1.077 7.755 1.00 0.00 N ATOM 171 CZ ARG A 43 -4.570 -1.296 8.751 1.00 0.00 C ATOM 172 NH1 ARG A 43 -3.557 -0.465 8.956 1.00 0.00 N ATOM 173 NH2 ARG A 43 -4.732 -2.346 9.546 1.00 0.00 N ATOM 0 H ARG A 43 -2.999 0.934 3.351 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.931 0.054 5.266 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.610 -0.596 6.853 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.880 1.091 6.466 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.655 0.356 4.816 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.447 -1.284 5.398 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.974 0.932 7.380 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -6.305 0.290 6.439 1.00 0.00 H new ATOM 0 HE ARG A 43 -6.191 -1.734 7.625 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -3.430 0.345 8.348 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -2.904 -0.635 9.721 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -5.511 -2.986 9.393 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -4.077 -2.513 10.310 1.00 0.00 H new ATOM 187 N ASN A 44 -1.791 -2.451 4.949 1.00 0.00 N ATOM 188 CA ASN A 44 -1.893 -3.806 4.419 1.00 0.00 C ATOM 189 C ASN A 44 -0.781 -4.082 3.412 1.00 0.00 C ATOM 190 O ASN A 44 -1.040 -4.507 2.285 1.00 0.00 O ATOM 191 CB ASN A 44 -3.258 -4.016 3.759 1.00 0.00 C ATOM 192 CG ASN A 44 -3.716 -5.460 3.826 1.00 0.00 C ATOM 193 OD1 ASN A 44 -4.299 -5.893 4.820 1.00 0.00 O ATOM 194 ND2 ASN A 44 -3.453 -6.213 2.764 1.00 0.00 N ATOM 0 H ASN A 44 -1.465 -2.399 5.914 1.00 0.00 H new ATOM 0 HA ASN A 44 -1.787 -4.503 5.250 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -3.996 -3.380 4.248 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -3.207 -3.702 2.717 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -3.737 -7.193 2.750 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -2.967 -5.812 1.962 1.00 0.00 H new ATOM 201 N LEU A 45 0.458 -3.839 3.826 1.00 0.00 N ATOM 202 CA LEU A 45 1.611 -4.062 2.961 1.00 0.00 C ATOM 203 C LEU A 45 2.246 -5.421 3.240 1.00 0.00 C ATOM 204 O LEU A 45 2.378 -5.831 4.393 1.00 0.00 O ATOM 205 CB LEU A 45 2.645 -2.953 3.161 1.00 0.00 C ATOM 206 CG LEU A 45 2.502 -1.730 2.254 1.00 0.00 C ATOM 207 CD1 LEU A 45 2.671 -2.125 0.795 1.00 0.00 C ATOM 208 CD2 LEU A 45 1.154 -1.059 2.474 1.00 0.00 C ATOM 0 H LEU A 45 0.690 -3.488 4.755 1.00 0.00 H new ATOM 0 HA LEU A 45 1.267 -4.048 1.927 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.595 -2.620 4.198 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.638 -3.378 3.011 1.00 0.00 H new ATOM 0 HG LEU A 45 3.287 -1.018 2.509 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.566 -1.242 0.165 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.659 -2.560 0.648 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.909 -2.856 0.525 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.069 -0.191 1.821 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.355 -1.764 2.246 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.071 -0.741 3.513 1.00 0.00 H new ATOM 220 N SER A 46 2.638 -6.114 2.176 1.00 0.00 N ATOM 221 CA SER A 46 3.258 -7.428 2.305 1.00 0.00 C ATOM 222 C SER A 46 4.732 -7.299 2.677 1.00 0.00 C ATOM 223 O SER A 46 5.501 -6.629 1.987 1.00 0.00 O ATOM 224 CB SER A 46 3.116 -8.213 1.000 1.00 0.00 C ATOM 225 OG SER A 46 4.191 -7.937 0.119 1.00 0.00 O ATOM 0 H SER A 46 2.537 -5.788 1.215 1.00 0.00 H new ATOM 0 HA SER A 46 2.746 -7.967 3.102 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.084 -9.281 1.216 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.172 -7.957 0.519 1.00 0.00 H new ATOM 0 HG SER A 46 4.750 -8.736 0.025 1.00 0.00 H new ATOM 231 N TYR A 47 5.118 -7.945 3.772 1.00 0.00 N ATOM 232 CA TYR A 47 6.499 -7.901 4.238 1.00 0.00 C ATOM 233 C TYR A 47 7.470 -8.156 3.089 1.00 0.00 C ATOM 234 O TYR A 47 8.512 -7.508 2.985 1.00 0.00 O ATOM 235 CB TYR A 47 6.719 -8.933 5.345 1.00 0.00 C ATOM 236 CG TYR A 47 5.512 -9.133 6.234 1.00 0.00 C ATOM 237 CD1 TYR A 47 5.018 -8.094 7.012 1.00 0.00 C ATOM 238 CD2 TYR A 47 4.867 -10.362 6.296 1.00 0.00 C ATOM 239 CE1 TYR A 47 3.916 -8.272 7.826 1.00 0.00 C ATOM 240 CE2 TYR A 47 3.764 -10.550 7.107 1.00 0.00 C ATOM 241 CZ TYR A 47 3.293 -9.502 7.870 1.00 0.00 C ATOM 242 OH TYR A 47 2.195 -9.684 8.679 1.00 0.00 O ATOM 0 H TYR A 47 4.494 -8.505 4.353 1.00 0.00 H new ATOM 0 HA TYR A 47 6.690 -6.905 4.637 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.989 -9.887 4.892 1.00 0.00 H new ATOM 0 HB3 TYR A 47 7.564 -8.621 5.959 1.00 0.00 H new ATOM 0 HD1 TYR A 47 5.504 -7.130 6.980 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.234 -11.185 5.700 1.00 0.00 H new ATOM 0 HE1 TYR A 47 3.545 -7.453 8.424 1.00 0.00 H new ATOM 0 HE2 TYR A 47 3.274 -11.512 7.143 1.00 0.00 H new ATOM 0 HH TYR A 47 1.875 -10.606 8.593 1.00 0.00 H new ATOM 252 N THR A 48 7.120 -9.105 2.226 1.00 0.00 N ATOM 253 CA THR A 48 7.959 -9.448 1.085 1.00 0.00 C ATOM 254 C THR A 48 8.294 -8.212 0.259 1.00 0.00 C ATOM 255 O THR A 48 9.368 -8.124 -0.337 1.00 0.00 O ATOM 256 CB THR A 48 7.275 -10.488 0.177 1.00 0.00 C ATOM 257 OG1 THR A 48 6.151 -9.897 -0.484 1.00 0.00 O ATOM 258 CG2 THR A 48 6.819 -11.694 0.985 1.00 0.00 C ATOM 0 H THR A 48 6.261 -9.650 2.296 1.00 0.00 H new ATOM 0 HA THR A 48 8.878 -9.875 1.485 1.00 0.00 H new ATOM 0 HB THR A 48 7.999 -10.821 -0.567 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.462 -9.364 -1.245 1.00 0.00 H new ATOM 0 HG21 THR A 48 6.339 -12.415 0.323 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.681 -12.159 1.463 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.110 -11.374 1.748 1.00 0.00 H new ATOM 266 N SER A 49 7.370 -7.258 0.227 1.00 0.00 N ATOM 267 CA SER A 49 7.567 -6.027 -0.529 1.00 0.00 C ATOM 268 C SER A 49 8.658 -5.169 0.104 1.00 0.00 C ATOM 269 O SER A 49 8.798 -5.125 1.326 1.00 0.00 O ATOM 270 CB SER A 49 6.260 -5.235 -0.606 1.00 0.00 C ATOM 271 OG SER A 49 5.275 -5.945 -1.337 1.00 0.00 O ATOM 0 H SER A 49 6.477 -7.314 0.716 1.00 0.00 H new ATOM 0 HA SER A 49 7.880 -6.296 -1.538 1.00 0.00 H new ATOM 0 HB2 SER A 49 5.894 -5.032 0.401 1.00 0.00 H new ATOM 0 HB3 SER A 49 6.443 -4.270 -1.079 1.00 0.00 H new ATOM 0 HG SER A 49 4.805 -6.562 -0.738 1.00 0.00 H new ATOM 277 N SER A 50 9.429 -4.487 -0.738 1.00 0.00 N ATOM 278 CA SER A 50 10.511 -3.633 -0.262 1.00 0.00 C ATOM 279 C SER A 50 10.200 -2.163 -0.528 1.00 0.00 C ATOM 280 O SER A 50 9.550 -1.825 -1.517 1.00 0.00 O ATOM 281 CB SER A 50 11.828 -4.018 -0.938 1.00 0.00 C ATOM 282 OG SER A 50 12.110 -5.395 -0.759 1.00 0.00 O ATOM 0 H SER A 50 9.324 -4.509 -1.752 1.00 0.00 H new ATOM 0 HA SER A 50 10.608 -3.777 0.814 1.00 0.00 H new ATOM 0 HB2 SER A 50 11.774 -3.790 -2.003 1.00 0.00 H new ATOM 0 HB3 SER A 50 12.641 -3.421 -0.525 1.00 0.00 H new ATOM 0 HG SER A 50 12.956 -5.616 -1.202 1.00 0.00 H new ATOM 288 N GLU A 51 10.669 -1.295 0.362 1.00 0.00 N ATOM 289 CA GLU A 51 10.440 0.139 0.224 1.00 0.00 C ATOM 290 C GLU A 51 10.439 0.550 -1.245 1.00 0.00 C ATOM 291 O GLU A 51 9.683 1.431 -1.653 1.00 0.00 O ATOM 292 CB GLU A 51 11.510 0.924 0.985 1.00 0.00 C ATOM 293 CG GLU A 51 11.207 2.408 1.104 1.00 0.00 C ATOM 294 CD GLU A 51 12.301 3.171 1.825 1.00 0.00 C ATOM 295 OE1 GLU A 51 13.426 3.243 1.287 1.00 0.00 O ATOM 296 OE2 GLU A 51 12.032 3.697 2.925 1.00 0.00 O ATOM 0 H GLU A 51 11.209 -1.559 1.186 1.00 0.00 H new ATOM 0 HA GLU A 51 9.462 0.368 0.648 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.616 0.502 1.984 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.469 0.797 0.482 1.00 0.00 H new ATOM 0 HG2 GLU A 51 11.072 2.828 0.107 1.00 0.00 H new ATOM 0 HG3 GLU A 51 10.265 2.541 1.636 1.00 0.00 H new ATOM 303 N GLU A 52 11.294 -0.093 -2.034 1.00 0.00 N ATOM 304 CA GLU A 52 11.393 0.207 -3.458 1.00 0.00 C ATOM 305 C GLU A 52 10.100 -0.157 -4.182 1.00 0.00 C ATOM 306 O GLU A 52 9.401 0.713 -4.701 1.00 0.00 O ATOM 307 CB GLU A 52 12.569 -0.548 -4.081 1.00 0.00 C ATOM 308 CG GLU A 52 12.670 -0.381 -5.588 1.00 0.00 C ATOM 309 CD GLU A 52 13.947 -0.969 -6.155 1.00 0.00 C ATOM 310 OE1 GLU A 52 15.009 -0.806 -5.518 1.00 0.00 O ATOM 311 OE2 GLU A 52 13.885 -1.591 -7.236 1.00 0.00 O ATOM 0 H GLU A 52 11.928 -0.824 -1.712 1.00 0.00 H new ATOM 0 HA GLU A 52 11.561 1.279 -3.566 1.00 0.00 H new ATOM 0 HB2 GLU A 52 13.496 -0.202 -3.623 1.00 0.00 H new ATOM 0 HB3 GLU A 52 12.474 -1.608 -3.847 1.00 0.00 H new ATOM 0 HG2 GLU A 52 11.813 -0.860 -6.061 1.00 0.00 H new ATOM 0 HG3 GLU A 52 12.621 0.679 -5.837 1.00 0.00 H new ATOM 318 N ASP A 53 9.790 -1.448 -4.212 1.00 0.00 N ATOM 319 CA ASP A 53 8.581 -1.928 -4.872 1.00 0.00 C ATOM 320 C ASP A 53 7.440 -0.928 -4.711 1.00 0.00 C ATOM 321 O ASP A 53 6.649 -0.720 -5.632 1.00 0.00 O ATOM 322 CB ASP A 53 8.169 -3.287 -4.302 1.00 0.00 C ATOM 323 CG ASP A 53 7.420 -4.135 -5.311 1.00 0.00 C ATOM 324 OD1 ASP A 53 6.975 -3.580 -6.337 1.00 0.00 O ATOM 325 OD2 ASP A 53 7.279 -5.353 -5.074 1.00 0.00 O ATOM 0 H ASP A 53 10.358 -2.181 -3.787 1.00 0.00 H new ATOM 0 HA ASP A 53 8.796 -2.038 -5.935 1.00 0.00 H new ATOM 0 HB2 ASP A 53 9.058 -3.823 -3.970 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.542 -3.134 -3.423 1.00 0.00 H new ATOM 330 N LEU A 54 7.361 -0.313 -3.537 1.00 0.00 N ATOM 331 CA LEU A 54 6.316 0.665 -3.254 1.00 0.00 C ATOM 332 C LEU A 54 6.463 1.892 -4.148 1.00 0.00 C ATOM 333 O LEU A 54 5.531 2.271 -4.856 1.00 0.00 O ATOM 334 CB LEU A 54 6.364 1.082 -1.783 1.00 0.00 C ATOM 335 CG LEU A 54 5.716 0.117 -0.791 1.00 0.00 C ATOM 336 CD1 LEU A 54 5.799 0.670 0.624 1.00 0.00 C ATOM 337 CD2 LEU A 54 4.268 -0.152 -1.175 1.00 0.00 C ATOM 0 H LEU A 54 8.008 -0.474 -2.765 1.00 0.00 H new ATOM 0 HA LEU A 54 5.352 0.200 -3.461 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.407 1.218 -1.498 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.878 2.053 -1.685 1.00 0.00 H new ATOM 0 HG LEU A 54 6.261 -0.826 -0.824 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.332 -0.031 1.316 1.00 0.00 H new ATOM 0 HD12 LEU A 54 6.844 0.810 0.899 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.280 1.627 0.672 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.823 -0.841 -0.457 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.711 0.785 -1.172 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.232 -0.593 -2.171 1.00 0.00 H new ATOM 349 N GLU A 55 7.641 2.507 -4.110 1.00 0.00 N ATOM 350 CA GLU A 55 7.910 3.691 -4.918 1.00 0.00 C ATOM 351 C GLU A 55 7.613 3.423 -6.391 1.00 0.00 C ATOM 352 O GLU A 55 6.968 4.228 -7.063 1.00 0.00 O ATOM 353 CB GLU A 55 9.366 4.130 -4.751 1.00 0.00 C ATOM 354 CG GLU A 55 9.628 4.892 -3.463 1.00 0.00 C ATOM 355 CD GLU A 55 11.106 5.020 -3.151 1.00 0.00 C ATOM 356 OE1 GLU A 55 11.791 5.808 -3.837 1.00 0.00 O ATOM 357 OE2 GLU A 55 11.579 4.331 -2.223 1.00 0.00 O ATOM 0 H GLU A 55 8.423 2.205 -3.529 1.00 0.00 H new ATOM 0 HA GLU A 55 7.256 4.491 -4.573 1.00 0.00 H new ATOM 0 HB2 GLU A 55 10.008 3.249 -4.779 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.647 4.756 -5.598 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.189 5.887 -3.538 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.129 4.385 -2.637 1.00 0.00 H new ATOM 364 N LYS A 56 8.091 2.287 -6.887 1.00 0.00 N ATOM 365 CA LYS A 56 7.878 1.911 -8.280 1.00 0.00 C ATOM 366 C LYS A 56 6.394 1.708 -8.568 1.00 0.00 C ATOM 367 O LYS A 56 5.939 1.894 -9.697 1.00 0.00 O ATOM 368 CB LYS A 56 8.651 0.631 -8.608 1.00 0.00 C ATOM 369 CG LYS A 56 9.996 0.538 -7.909 1.00 0.00 C ATOM 370 CD LYS A 56 10.800 1.817 -8.074 1.00 0.00 C ATOM 371 CE LYS A 56 11.514 1.857 -9.417 1.00 0.00 C ATOM 372 NZ LYS A 56 12.871 1.248 -9.342 1.00 0.00 N ATOM 0 H LYS A 56 8.629 1.610 -6.345 1.00 0.00 H new ATOM 0 HA LYS A 56 8.245 2.722 -8.909 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.045 -0.231 -8.329 1.00 0.00 H new ATOM 0 HB3 LYS A 56 8.806 0.576 -9.686 1.00 0.00 H new ATOM 0 HG2 LYS A 56 9.843 0.338 -6.849 1.00 0.00 H new ATOM 0 HG3 LYS A 56 10.560 -0.302 -8.314 1.00 0.00 H new ATOM 0 HD2 LYS A 56 10.138 2.678 -7.987 1.00 0.00 H new ATOM 0 HD3 LYS A 56 11.531 1.895 -7.269 1.00 0.00 H new ATOM 0 HE2 LYS A 56 10.919 1.327 -10.161 1.00 0.00 H new ATOM 0 HE3 LYS A 56 11.598 2.890 -9.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 13.325 1.295 -10.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 13.448 1.769 -8.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 12.790 0.254 -9.046 1.00 0.00 H new ATOM 386 N LEU A 57 5.643 1.327 -7.540 1.00 0.00 N ATOM 387 CA LEU A 57 4.209 1.101 -7.683 1.00 0.00 C ATOM 388 C LEU A 57 3.455 2.423 -7.779 1.00 0.00 C ATOM 389 O LEU A 57 2.784 2.697 -8.774 1.00 0.00 O ATOM 390 CB LEU A 57 3.681 0.285 -6.501 1.00 0.00 C ATOM 391 CG LEU A 57 2.171 0.336 -6.271 1.00 0.00 C ATOM 392 CD1 LEU A 57 1.442 -0.478 -7.328 1.00 0.00 C ATOM 393 CD2 LEU A 57 1.826 -0.167 -4.877 1.00 0.00 C ATOM 0 H LEU A 57 6.003 1.168 -6.599 1.00 0.00 H new ATOM 0 HA LEU A 57 4.045 0.543 -8.605 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.971 -0.756 -6.645 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.178 0.632 -5.595 1.00 0.00 H new ATOM 0 HG LEU A 57 1.846 1.373 -6.352 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.368 -0.430 -7.148 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.663 -0.073 -8.316 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.772 -1.516 -7.280 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.747 -0.123 -4.731 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.166 -1.197 -4.767 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.318 0.459 -4.132 1.00 0.00 H new ATOM 405 N PHE A 58 3.573 3.242 -6.738 1.00 0.00 N ATOM 406 CA PHE A 58 2.904 4.538 -6.706 1.00 0.00 C ATOM 407 C PHE A 58 3.471 5.470 -7.773 1.00 0.00 C ATOM 408 O PHE A 58 2.729 6.043 -8.570 1.00 0.00 O ATOM 409 CB PHE A 58 3.052 5.177 -5.324 1.00 0.00 C ATOM 410 CG PHE A 58 2.287 4.461 -4.247 1.00 0.00 C ATOM 411 CD1 PHE A 58 0.910 4.337 -4.324 1.00 0.00 C ATOM 412 CD2 PHE A 58 2.946 3.913 -3.159 1.00 0.00 C ATOM 413 CE1 PHE A 58 0.203 3.679 -3.335 1.00 0.00 C ATOM 414 CE2 PHE A 58 2.245 3.254 -2.166 1.00 0.00 C ATOM 415 CZ PHE A 58 0.872 3.136 -2.255 1.00 0.00 C ATOM 0 H PHE A 58 4.125 3.031 -5.907 1.00 0.00 H new ATOM 0 HA PHE A 58 1.846 4.378 -6.914 1.00 0.00 H new ATOM 0 HB2 PHE A 58 4.108 5.200 -5.054 1.00 0.00 H new ATOM 0 HB3 PHE A 58 2.713 6.212 -5.373 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.382 4.759 -5.166 1.00 0.00 H new ATOM 0 HD2 PHE A 58 4.020 4.001 -3.085 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -0.871 3.590 -3.406 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.770 2.832 -1.322 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.322 2.620 -1.482 1.00 0.00 H new ATOM 425 N SER A 59 4.793 5.616 -7.780 1.00 0.00 N ATOM 426 CA SER A 59 5.460 6.482 -8.746 1.00 0.00 C ATOM 427 C SER A 59 4.833 6.338 -10.129 1.00 0.00 C ATOM 428 O SER A 59 4.832 7.277 -10.923 1.00 0.00 O ATOM 429 CB SER A 59 6.952 6.151 -8.813 1.00 0.00 C ATOM 430 OG SER A 59 7.625 7.009 -9.718 1.00 0.00 O ATOM 0 H SER A 59 5.422 5.147 -7.129 1.00 0.00 H new ATOM 0 HA SER A 59 5.338 7.514 -8.417 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.393 6.246 -7.821 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.084 5.114 -9.123 1.00 0.00 H new ATOM 0 HG SER A 59 8.577 6.778 -9.741 1.00 0.00 H new ATOM 436 N ALA A 60 4.300 5.153 -10.410 1.00 0.00 N ATOM 437 CA ALA A 60 3.667 4.885 -11.695 1.00 0.00 C ATOM 438 C ALA A 60 2.531 5.866 -11.964 1.00 0.00 C ATOM 439 O ALA A 60 2.412 6.407 -13.063 1.00 0.00 O ATOM 440 CB ALA A 60 3.154 3.453 -11.743 1.00 0.00 C ATOM 0 H ALA A 60 4.294 4.363 -9.764 1.00 0.00 H new ATOM 0 HA ALA A 60 4.417 5.017 -12.475 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.684 3.267 -12.709 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.987 2.763 -11.606 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.423 3.301 -10.948 1.00 0.00 H new ATOM 446 N TYR A 61 1.699 6.090 -10.953 1.00 0.00 N ATOM 447 CA TYR A 61 0.570 7.004 -11.081 1.00 0.00 C ATOM 448 C TYR A 61 1.050 8.443 -11.247 1.00 0.00 C ATOM 449 O TYR A 61 0.321 9.299 -11.746 1.00 0.00 O ATOM 450 CB TYR A 61 -0.342 6.897 -9.858 1.00 0.00 C ATOM 451 CG TYR A 61 -1.105 5.594 -9.785 1.00 0.00 C ATOM 452 CD1 TYR A 61 -0.521 4.452 -9.251 1.00 0.00 C ATOM 453 CD2 TYR A 61 -2.412 5.505 -10.249 1.00 0.00 C ATOM 454 CE1 TYR A 61 -1.215 3.260 -9.183 1.00 0.00 C ATOM 455 CE2 TYR A 61 -3.115 4.317 -10.184 1.00 0.00 C ATOM 456 CZ TYR A 61 -2.512 3.197 -9.650 1.00 0.00 C ATOM 457 OH TYR A 61 -3.207 2.012 -9.583 1.00 0.00 O ATOM 0 H TYR A 61 1.785 5.651 -10.036 1.00 0.00 H new ATOM 0 HA TYR A 61 0.007 6.723 -11.971 1.00 0.00 H new ATOM 0 HB2 TYR A 61 0.260 7.007 -8.956 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -1.052 7.724 -9.871 1.00 0.00 H new ATOM 0 HD1 TYR A 61 0.493 4.497 -8.883 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -2.887 6.380 -10.668 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -0.745 2.381 -8.766 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -4.130 4.266 -10.549 1.00 0.00 H new ATOM 0 HH TYR A 61 -4.106 2.139 -9.952 1.00 0.00 H new ATOM 467 N GLY A 62 2.284 8.701 -10.824 1.00 0.00 N ATOM 468 CA GLY A 62 2.842 10.036 -10.934 1.00 0.00 C ATOM 469 C GLY A 62 4.052 10.234 -10.042 1.00 0.00 C ATOM 470 O GLY A 62 4.544 9.299 -9.410 1.00 0.00 O ATOM 0 H GLY A 62 2.907 8.009 -10.407 1.00 0.00 H new ATOM 0 HA2 GLY A 62 3.123 10.225 -11.970 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.078 10.768 -10.673 1.00 0.00 H new ATOM 474 N PRO A 63 4.552 11.477 -9.985 1.00 0.00 N ATOM 475 CA PRO A 63 5.719 11.824 -9.168 1.00 0.00 C ATOM 476 C PRO A 63 5.418 11.770 -7.674 1.00 0.00 C ATOM 477 O PRO A 63 4.307 12.082 -7.243 1.00 0.00 O ATOM 478 CB PRO A 63 6.040 13.257 -9.598 1.00 0.00 C ATOM 479 CG PRO A 63 4.746 13.802 -10.095 1.00 0.00 C ATOM 480 CD PRO A 63 4.017 12.640 -10.712 1.00 0.00 C ATOM 0 HA PRO A 63 6.543 11.126 -9.317 1.00 0.00 H new ATOM 0 HB2 PRO A 63 6.423 13.844 -8.763 1.00 0.00 H new ATOM 0 HB3 PRO A 63 6.803 13.275 -10.377 1.00 0.00 H new ATOM 0 HG2 PRO A 63 4.167 14.238 -9.280 1.00 0.00 H new ATOM 0 HG3 PRO A 63 4.911 14.592 -10.827 1.00 0.00 H new ATOM 0 HD2 PRO A 63 2.938 12.730 -10.587 1.00 0.00 H new ATOM 0 HD3 PRO A 63 4.209 12.568 -11.783 1.00 0.00 H new ATOM 488 N LEU A 64 6.413 11.373 -6.889 1.00 0.00 N ATOM 489 CA LEU A 64 6.255 11.280 -5.441 1.00 0.00 C ATOM 490 C LEU A 64 6.946 12.445 -4.741 1.00 0.00 C ATOM 491 O LEU A 64 7.774 13.136 -5.335 1.00 0.00 O ATOM 492 CB LEU A 64 6.823 9.954 -4.931 1.00 0.00 C ATOM 493 CG LEU A 64 6.172 8.687 -5.487 1.00 0.00 C ATOM 494 CD1 LEU A 64 6.912 7.450 -5.000 1.00 0.00 C ATOM 495 CD2 LEU A 64 4.704 8.623 -5.092 1.00 0.00 C ATOM 0 H LEU A 64 7.338 11.110 -7.230 1.00 0.00 H new ATOM 0 HA LEU A 64 5.190 11.324 -5.213 1.00 0.00 H new ATOM 0 HB2 LEU A 64 7.887 9.924 -5.164 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.734 9.937 -3.845 1.00 0.00 H new ATOM 0 HG LEU A 64 6.233 8.718 -6.575 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.435 6.558 -5.405 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.949 7.491 -5.334 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.883 7.414 -3.911 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.258 7.715 -5.497 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.620 8.616 -4.005 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.182 9.493 -5.491 1.00 0.00 H new ATOM 507 N SER A 65 6.601 12.657 -3.475 1.00 0.00 N ATOM 508 CA SER A 65 7.187 13.740 -2.694 1.00 0.00 C ATOM 509 C SER A 65 8.008 13.189 -1.532 1.00 0.00 C ATOM 510 O SER A 65 9.127 13.635 -1.284 1.00 0.00 O ATOM 511 CB SER A 65 6.091 14.666 -2.165 1.00 0.00 C ATOM 512 OG SER A 65 6.643 15.859 -1.635 1.00 0.00 O ATOM 0 H SER A 65 5.919 12.093 -2.968 1.00 0.00 H new ATOM 0 HA SER A 65 7.849 14.309 -3.347 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.396 14.909 -2.969 1.00 0.00 H new ATOM 0 HB3 SER A 65 5.518 14.152 -1.393 1.00 0.00 H new ATOM 0 HG SER A 65 7.619 15.834 -1.720 1.00 0.00 H new ATOM 518 N GLU A 66 7.442 12.217 -0.824 1.00 0.00 N ATOM 519 CA GLU A 66 8.120 11.605 0.313 1.00 0.00 C ATOM 520 C GLU A 66 7.543 10.225 0.613 1.00 0.00 C ATOM 521 O GLU A 66 6.352 9.981 0.414 1.00 0.00 O ATOM 522 CB GLU A 66 8.001 12.500 1.548 1.00 0.00 C ATOM 523 CG GLU A 66 8.128 11.746 2.861 1.00 0.00 C ATOM 524 CD GLU A 66 8.532 12.644 4.013 1.00 0.00 C ATOM 525 OE1 GLU A 66 7.713 13.498 4.415 1.00 0.00 O ATOM 526 OE2 GLU A 66 9.666 12.495 4.514 1.00 0.00 O ATOM 0 H GLU A 66 6.516 11.836 -1.018 1.00 0.00 H new ATOM 0 HA GLU A 66 9.173 11.491 0.056 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.772 13.269 1.504 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.039 13.012 1.524 1.00 0.00 H new ATOM 0 HG2 GLU A 66 7.177 11.268 3.094 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.865 10.951 2.749 1.00 0.00 H new ATOM 533 N LEU A 67 8.395 9.326 1.093 1.00 0.00 N ATOM 534 CA LEU A 67 7.971 7.969 1.421 1.00 0.00 C ATOM 535 C LEU A 67 8.331 7.620 2.861 1.00 0.00 C ATOM 536 O LEU A 67 9.387 8.008 3.360 1.00 0.00 O ATOM 537 CB LEU A 67 8.618 6.966 0.464 1.00 0.00 C ATOM 538 CG LEU A 67 8.022 5.558 0.464 1.00 0.00 C ATOM 539 CD1 LEU A 67 6.737 5.523 -0.349 1.00 0.00 C ATOM 540 CD2 LEU A 67 9.027 4.553 -0.080 1.00 0.00 C ATOM 0 H LEU A 67 9.383 9.512 1.264 1.00 0.00 H new ATOM 0 HA LEU A 67 6.888 7.917 1.314 1.00 0.00 H new ATOM 0 HB2 LEU A 67 8.554 7.366 -0.548 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.677 6.891 0.710 1.00 0.00 H new ATOM 0 HG LEU A 67 7.785 5.284 1.492 1.00 0.00 H new ATOM 0 HD11 LEU A 67 6.327 4.513 -0.338 1.00 0.00 H new ATOM 0 HD12 LEU A 67 6.013 6.213 0.084 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.949 5.817 -1.377 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.585 3.556 -0.072 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.295 4.823 -1.101 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.921 4.558 0.544 1.00 0.00 H new ATOM 552 N HIS A 68 7.445 6.882 3.524 1.00 0.00 N ATOM 553 CA HIS A 68 7.671 6.477 4.908 1.00 0.00 C ATOM 554 C HIS A 68 7.431 4.980 5.081 1.00 0.00 C ATOM 555 O HIS A 68 6.289 4.531 5.175 1.00 0.00 O ATOM 556 CB HIS A 68 6.756 7.264 5.847 1.00 0.00 C ATOM 557 CG HIS A 68 6.628 6.654 7.209 1.00 0.00 C ATOM 558 ND1 HIS A 68 5.700 5.680 7.513 1.00 0.00 N ATOM 559 CD2 HIS A 68 7.319 6.883 8.350 1.00 0.00 C ATOM 560 CE1 HIS A 68 5.825 5.338 8.783 1.00 0.00 C ATOM 561 NE2 HIS A 68 6.800 6.053 9.313 1.00 0.00 N ATOM 0 H HIS A 68 6.565 6.553 3.126 1.00 0.00 H new ATOM 0 HA HIS A 68 8.709 6.692 5.160 1.00 0.00 H new ATOM 0 HB2 HIS A 68 7.139 8.280 5.947 1.00 0.00 H new ATOM 0 HB3 HIS A 68 5.766 7.340 5.397 1.00 0.00 H new ATOM 0 HD1 HIS A 68 5.023 5.286 6.860 1.00 0.00 H new ATOM 0 HD2 HIS A 68 8.128 7.587 8.479 1.00 0.00 H new ATOM 0 HE1 HIS A 68 5.231 4.599 9.300 1.00 0.00 H new ATOM 570 N TYR A 69 8.516 4.214 5.123 1.00 0.00 N ATOM 571 CA TYR A 69 8.423 2.768 5.282 1.00 0.00 C ATOM 572 C TYR A 69 8.999 2.330 6.625 1.00 0.00 C ATOM 573 O TYR A 69 10.200 2.103 6.771 1.00 0.00 O ATOM 574 CB TYR A 69 9.161 2.060 4.144 1.00 0.00 C ATOM 575 CG TYR A 69 8.629 0.676 3.846 1.00 0.00 C ATOM 576 CD1 TYR A 69 7.265 0.451 3.703 1.00 0.00 C ATOM 577 CD2 TYR A 69 9.490 -0.405 3.707 1.00 0.00 C ATOM 578 CE1 TYR A 69 6.775 -0.812 3.432 1.00 0.00 C ATOM 579 CE2 TYR A 69 9.009 -1.671 3.434 1.00 0.00 C ATOM 580 CZ TYR A 69 7.650 -1.869 3.298 1.00 0.00 C ATOM 581 OH TYR A 69 7.167 -3.129 3.027 1.00 0.00 O ATOM 0 H TYR A 69 9.469 4.570 5.049 1.00 0.00 H new ATOM 0 HA TYR A 69 7.369 2.492 5.251 1.00 0.00 H new ATOM 0 HB2 TYR A 69 9.091 2.669 3.243 1.00 0.00 H new ATOM 0 HB3 TYR A 69 10.218 1.987 4.398 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.577 1.277 3.805 1.00 0.00 H new ATOM 0 HD2 TYR A 69 10.554 -0.253 3.814 1.00 0.00 H new ATOM 0 HE1 TYR A 69 5.712 -0.971 3.326 1.00 0.00 H new ATOM 0 HE2 TYR A 69 9.692 -2.501 3.328 1.00 0.00 H new ATOM 0 HH TYR A 69 7.818 -3.619 2.483 1.00 0.00 H new ATOM 591 N PRO A 70 8.121 2.206 7.632 1.00 0.00 N ATOM 592 CA PRO A 70 8.517 1.793 8.981 1.00 0.00 C ATOM 593 C PRO A 70 8.939 0.329 9.039 1.00 0.00 C ATOM 594 O PRO A 70 8.298 -0.535 8.441 1.00 0.00 O ATOM 595 CB PRO A 70 7.248 2.017 9.808 1.00 0.00 C ATOM 596 CG PRO A 70 6.133 1.918 8.824 1.00 0.00 C ATOM 597 CD PRO A 70 6.674 2.460 7.530 1.00 0.00 C ATOM 0 HA PRO A 70 9.381 2.352 9.341 1.00 0.00 H new ATOM 0 HB2 PRO A 70 7.150 1.268 10.594 1.00 0.00 H new ATOM 0 HB3 PRO A 70 7.260 2.992 10.296 1.00 0.00 H new ATOM 0 HG2 PRO A 70 5.805 0.885 8.708 1.00 0.00 H new ATOM 0 HG3 PRO A 70 5.267 2.491 9.156 1.00 0.00 H new ATOM 0 HD2 PRO A 70 6.237 1.955 6.669 1.00 0.00 H new ATOM 0 HD3 PRO A 70 6.459 3.523 7.419 1.00 0.00 H new ATOM 605 N ILE A 71 10.019 0.057 9.764 1.00 0.00 N ATOM 606 CA ILE A 71 10.524 -1.303 9.900 1.00 0.00 C ATOM 607 C ILE A 71 11.009 -1.569 11.322 1.00 0.00 C ATOM 608 O ILE A 71 11.750 -0.771 11.895 1.00 0.00 O ATOM 609 CB ILE A 71 11.678 -1.577 8.917 1.00 0.00 C ATOM 610 CG1 ILE A 71 11.257 -1.217 7.491 1.00 0.00 C ATOM 611 CG2 ILE A 71 12.107 -3.034 8.997 1.00 0.00 C ATOM 612 CD1 ILE A 71 10.409 -2.279 6.825 1.00 0.00 C ATOM 0 H ILE A 71 10.561 0.761 10.266 1.00 0.00 H new ATOM 0 HA ILE A 71 9.695 -1.972 9.669 1.00 0.00 H new ATOM 0 HB ILE A 71 12.528 -0.953 9.193 1.00 0.00 H new ATOM 0 HG12 ILE A 71 10.702 -0.279 7.511 1.00 0.00 H new ATOM 0 HG13 ILE A 71 12.150 -1.046 6.889 1.00 0.00 H new ATOM 0 HG21 ILE A 71 12.923 -3.212 8.297 1.00 0.00 H new ATOM 0 HG22 ILE A 71 12.442 -3.260 10.009 1.00 0.00 H new ATOM 0 HG23 ILE A 71 11.264 -3.676 8.742 1.00 0.00 H new ATOM 0 HD11 ILE A 71 10.147 -1.957 5.817 1.00 0.00 H new ATOM 0 HD12 ILE A 71 10.969 -3.213 6.773 1.00 0.00 H new ATOM 0 HD13 ILE A 71 9.499 -2.434 7.404 1.00 0.00 H new ATOM 624 N ASP A 72 10.587 -2.697 11.883 1.00 0.00 N ATOM 625 CA ASP A 72 10.980 -3.071 13.237 1.00 0.00 C ATOM 626 C ASP A 72 12.499 -3.149 13.359 1.00 0.00 C ATOM 627 O ASP A 72 13.191 -3.503 12.405 1.00 0.00 O ATOM 628 CB ASP A 72 10.355 -4.413 13.620 1.00 0.00 C ATOM 629 CG ASP A 72 10.093 -4.525 15.109 1.00 0.00 C ATOM 630 OD1 ASP A 72 10.875 -3.948 15.894 1.00 0.00 O ATOM 631 OD2 ASP A 72 9.108 -5.191 15.490 1.00 0.00 O ATOM 0 H ASP A 72 9.973 -3.368 11.421 1.00 0.00 H new ATOM 0 HA ASP A 72 10.617 -2.303 13.920 1.00 0.00 H new ATOM 0 HB2 ASP A 72 9.418 -4.542 13.078 1.00 0.00 H new ATOM 0 HB3 ASP A 72 11.017 -5.221 13.309 1.00 0.00 H new ATOM 636 N SER A 73 13.010 -2.817 14.540 1.00 0.00 N ATOM 637 CA SER A 73 14.447 -2.845 14.786 1.00 0.00 C ATOM 638 C SER A 73 14.904 -4.248 15.175 1.00 0.00 C ATOM 639 O SER A 73 16.096 -4.558 15.137 1.00 0.00 O ATOM 640 CB SER A 73 14.817 -1.852 15.890 1.00 0.00 C ATOM 641 OG SER A 73 14.205 -2.204 17.119 1.00 0.00 O ATOM 0 H SER A 73 12.450 -2.526 15.341 1.00 0.00 H new ATOM 0 HA SER A 73 14.954 -2.558 13.865 1.00 0.00 H new ATOM 0 HB2 SER A 73 15.900 -1.827 16.013 1.00 0.00 H new ATOM 0 HB3 SER A 73 14.506 -0.848 15.600 1.00 0.00 H new ATOM 0 HG SER A 73 14.458 -1.555 17.808 1.00 0.00 H new ATOM 647 N LEU A 74 13.949 -5.092 15.549 1.00 0.00 N ATOM 648 CA LEU A 74 14.252 -6.463 15.945 1.00 0.00 C ATOM 649 C LEU A 74 14.027 -7.427 14.785 1.00 0.00 C ATOM 650 O LEU A 74 14.949 -8.117 14.349 1.00 0.00 O ATOM 651 CB LEU A 74 13.386 -6.872 17.138 1.00 0.00 C ATOM 652 CG LEU A 74 13.162 -5.799 18.204 1.00 0.00 C ATOM 653 CD1 LEU A 74 12.076 -6.232 19.177 1.00 0.00 C ATOM 654 CD2 LEU A 74 14.457 -5.505 18.946 1.00 0.00 C ATOM 0 H LEU A 74 12.958 -4.851 15.586 1.00 0.00 H new ATOM 0 HA LEU A 74 15.302 -6.509 16.233 1.00 0.00 H new ATOM 0 HB2 LEU A 74 12.414 -7.192 16.763 1.00 0.00 H new ATOM 0 HB3 LEU A 74 13.845 -7.739 17.614 1.00 0.00 H new ATOM 0 HG LEU A 74 12.835 -4.885 17.708 1.00 0.00 H new ATOM 0 HD11 LEU A 74 11.930 -5.456 19.928 1.00 0.00 H new ATOM 0 HD12 LEU A 74 11.144 -6.391 18.635 1.00 0.00 H new ATOM 0 HD13 LEU A 74 12.374 -7.159 19.666 1.00 0.00 H new ATOM 0 HD21 LEU A 74 14.278 -4.739 19.701 1.00 0.00 H new ATOM 0 HD22 LEU A 74 14.814 -6.414 19.429 1.00 0.00 H new ATOM 0 HD23 LEU A 74 15.208 -5.151 18.240 1.00 0.00 H new ATOM 666 N THR A 75 12.796 -7.468 14.286 1.00 0.00 N ATOM 667 CA THR A 75 12.450 -8.347 13.176 1.00 0.00 C ATOM 668 C THR A 75 12.990 -7.805 11.857 1.00 0.00 C ATOM 669 O THR A 75 13.086 -8.531 10.868 1.00 0.00 O ATOM 670 CB THR A 75 10.925 -8.528 13.056 1.00 0.00 C ATOM 671 OG1 THR A 75 10.325 -7.323 12.566 1.00 0.00 O ATOM 672 CG2 THR A 75 10.316 -8.892 14.402 1.00 0.00 C ATOM 0 H THR A 75 12.021 -6.902 14.633 1.00 0.00 H new ATOM 0 HA THR A 75 12.908 -9.314 13.384 1.00 0.00 H new ATOM 0 HB THR A 75 10.732 -9.340 12.355 1.00 0.00 H new ATOM 0 HG1 THR A 75 9.356 -7.447 12.491 1.00 0.00 H new ATOM 0 HG21 THR A 75 9.238 -9.015 14.293 1.00 0.00 H new ATOM 0 HG22 THR A 75 10.753 -9.825 14.759 1.00 0.00 H new ATOM 0 HG23 THR A 75 10.520 -8.098 15.120 1.00 0.00 H new ATOM 680 N LYS A 76 13.344 -6.524 11.850 1.00 0.00 N ATOM 681 CA LYS A 76 13.878 -5.884 10.653 1.00 0.00 C ATOM 682 C LYS A 76 12.880 -5.964 9.503 1.00 0.00 C ATOM 683 O LYS A 76 13.264 -5.970 8.333 1.00 0.00 O ATOM 684 CB LYS A 76 15.198 -6.542 10.244 1.00 0.00 C ATOM 685 CG LYS A 76 16.209 -6.632 11.374 1.00 0.00 C ATOM 686 CD LYS A 76 16.985 -5.336 11.532 1.00 0.00 C ATOM 687 CE LYS A 76 18.194 -5.294 10.609 1.00 0.00 C ATOM 688 NZ LYS A 76 19.325 -6.104 11.139 1.00 0.00 N ATOM 0 H LYS A 76 13.271 -5.908 12.660 1.00 0.00 H new ATOM 0 HA LYS A 76 14.058 -4.834 10.882 1.00 0.00 H new ATOM 0 HB2 LYS A 76 14.994 -7.545 9.870 1.00 0.00 H new ATOM 0 HB3 LYS A 76 15.636 -5.978 9.420 1.00 0.00 H new ATOM 0 HG2 LYS A 76 15.694 -6.865 12.306 1.00 0.00 H new ATOM 0 HG3 LYS A 76 16.902 -7.451 11.179 1.00 0.00 H new ATOM 0 HD2 LYS A 76 16.332 -4.491 11.316 1.00 0.00 H new ATOM 0 HD3 LYS A 76 17.312 -5.230 12.566 1.00 0.00 H new ATOM 0 HE2 LYS A 76 17.912 -5.665 9.624 1.00 0.00 H new ATOM 0 HE3 LYS A 76 18.517 -4.261 10.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 20.151 -5.995 10.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 19.567 -5.778 12.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 19.048 -7.106 11.174 1.00 0.00 H new ATOM 702 N LYS A 77 11.596 -6.022 9.842 1.00 0.00 N ATOM 703 CA LYS A 77 10.542 -6.098 8.838 1.00 0.00 C ATOM 704 C LYS A 77 9.418 -5.116 9.154 1.00 0.00 C ATOM 705 O LYS A 77 9.213 -4.719 10.301 1.00 0.00 O ATOM 706 CB LYS A 77 9.984 -7.521 8.761 1.00 0.00 C ATOM 707 CG LYS A 77 10.937 -8.515 8.120 1.00 0.00 C ATOM 708 CD LYS A 77 10.461 -9.945 8.307 1.00 0.00 C ATOM 709 CE LYS A 77 9.389 -10.314 7.293 1.00 0.00 C ATOM 710 NZ LYS A 77 9.915 -10.293 5.899 1.00 0.00 N ATOM 0 H LYS A 77 11.261 -6.018 10.805 1.00 0.00 H new ATOM 0 HA LYS A 77 10.974 -5.831 7.873 1.00 0.00 H new ATOM 0 HB2 LYS A 77 9.740 -7.861 9.767 1.00 0.00 H new ATOM 0 HB3 LYS A 77 9.053 -7.507 8.195 1.00 0.00 H new ATOM 0 HG2 LYS A 77 11.029 -8.298 7.056 1.00 0.00 H new ATOM 0 HG3 LYS A 77 11.930 -8.401 8.556 1.00 0.00 H new ATOM 0 HD2 LYS A 77 11.306 -10.626 8.209 1.00 0.00 H new ATOM 0 HD3 LYS A 77 10.067 -10.069 9.316 1.00 0.00 H new ATOM 0 HE2 LYS A 77 9.000 -11.307 7.520 1.00 0.00 H new ATOM 0 HE3 LYS A 77 8.554 -9.618 7.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 9.333 -10.911 5.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 9.882 -9.321 5.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 10.898 -10.632 5.894 1.00 0.00 H new ATOM 724 N PRO A 78 8.671 -4.716 8.114 1.00 0.00 N ATOM 725 CA PRO A 78 7.555 -3.777 8.257 1.00 0.00 C ATOM 726 C PRO A 78 6.371 -4.392 8.995 1.00 0.00 C ATOM 727 O PRO A 78 6.270 -5.613 9.119 1.00 0.00 O ATOM 728 CB PRO A 78 7.173 -3.457 6.809 1.00 0.00 C ATOM 729 CG PRO A 78 7.624 -4.642 6.027 1.00 0.00 C ATOM 730 CD PRO A 78 8.860 -5.149 6.719 1.00 0.00 C ATOM 0 HA PRO A 78 7.832 -2.901 8.843 1.00 0.00 H new ATOM 0 HB2 PRO A 78 6.099 -3.302 6.708 1.00 0.00 H new ATOM 0 HB3 PRO A 78 7.661 -2.546 6.463 1.00 0.00 H new ATOM 0 HG2 PRO A 78 6.850 -5.409 5.999 1.00 0.00 H new ATOM 0 HG3 PRO A 78 7.839 -4.369 4.994 1.00 0.00 H new ATOM 0 HD2 PRO A 78 8.947 -6.233 6.643 1.00 0.00 H new ATOM 0 HD3 PRO A 78 9.766 -4.725 6.286 1.00 0.00 H new ATOM 738 N LYS A 79 5.477 -3.540 9.484 1.00 0.00 N ATOM 739 CA LYS A 79 4.298 -3.999 10.210 1.00 0.00 C ATOM 740 C LYS A 79 3.131 -4.237 9.257 1.00 0.00 C ATOM 741 O LYS A 79 2.132 -4.853 9.625 1.00 0.00 O ATOM 742 CB LYS A 79 3.899 -2.976 11.276 1.00 0.00 C ATOM 743 CG LYS A 79 4.930 -2.815 12.380 1.00 0.00 C ATOM 744 CD LYS A 79 5.944 -1.735 12.043 1.00 0.00 C ATOM 745 CE LYS A 79 7.293 -2.017 12.686 1.00 0.00 C ATOM 746 NZ LYS A 79 7.248 -1.849 14.165 1.00 0.00 N ATOM 0 H LYS A 79 5.546 -2.527 9.391 1.00 0.00 H new ATOM 0 HA LYS A 79 4.546 -4.943 10.696 1.00 0.00 H new ATOM 0 HB2 LYS A 79 3.737 -2.010 10.798 1.00 0.00 H new ATOM 0 HB3 LYS A 79 2.949 -3.276 11.718 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.428 -2.565 13.314 1.00 0.00 H new ATOM 0 HG3 LYS A 79 5.445 -3.762 12.539 1.00 0.00 H new ATOM 0 HD2 LYS A 79 6.062 -1.670 10.961 1.00 0.00 H new ATOM 0 HD3 LYS A 79 5.573 -0.768 12.382 1.00 0.00 H new ATOM 0 HE2 LYS A 79 7.605 -3.033 12.445 1.00 0.00 H new ATOM 0 HE3 LYS A 79 8.043 -1.346 12.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 8.186 -2.050 14.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 6.975 -0.872 14.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 6.551 -2.507 14.568 1.00 0.00 H new ATOM 760 N GLY A 80 3.266 -3.746 8.029 1.00 0.00 N ATOM 761 CA GLY A 80 2.216 -3.916 7.042 1.00 0.00 C ATOM 762 C GLY A 80 1.483 -2.623 6.745 1.00 0.00 C ATOM 763 O GLY A 80 0.283 -2.630 6.468 1.00 0.00 O ATOM 0 H GLY A 80 4.084 -3.233 7.700 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.648 -4.305 6.120 1.00 0.00 H new ATOM 0 HA3 GLY A 80 1.504 -4.660 7.399 1.00 0.00 H new ATOM 767 N PHE A 81 2.206 -1.509 6.803 1.00 0.00 N ATOM 768 CA PHE A 81 1.616 -0.201 6.540 1.00 0.00 C ATOM 769 C PHE A 81 2.699 0.836 6.257 1.00 0.00 C ATOM 770 O PHE A 81 3.856 0.661 6.637 1.00 0.00 O ATOM 771 CB PHE A 81 0.765 0.246 7.730 1.00 0.00 C ATOM 772 CG PHE A 81 1.502 0.222 9.038 1.00 0.00 C ATOM 773 CD1 PHE A 81 2.575 1.072 9.259 1.00 0.00 C ATOM 774 CD2 PHE A 81 1.124 -0.650 10.046 1.00 0.00 C ATOM 775 CE1 PHE A 81 3.256 1.053 10.462 1.00 0.00 C ATOM 776 CE2 PHE A 81 1.801 -0.673 11.251 1.00 0.00 C ATOM 777 CZ PHE A 81 2.869 0.179 11.459 1.00 0.00 C ATOM 0 H PHE A 81 3.200 -1.486 7.030 1.00 0.00 H new ATOM 0 HA PHE A 81 0.980 -0.287 5.659 1.00 0.00 H new ATOM 0 HB2 PHE A 81 0.401 1.257 7.546 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -0.110 -0.400 7.803 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.882 1.757 8.482 1.00 0.00 H new ATOM 0 HD2 PHE A 81 0.291 -1.319 9.889 1.00 0.00 H new ATOM 0 HE1 PHE A 81 4.090 1.721 10.622 1.00 0.00 H new ATOM 0 HE2 PHE A 81 1.495 -1.356 12.029 1.00 0.00 H new ATOM 0 HZ PHE A 81 3.400 0.161 12.399 1.00 0.00 H new ATOM 787 N ALA A 82 2.314 1.917 5.586 1.00 0.00 N ATOM 788 CA ALA A 82 3.250 2.983 5.252 1.00 0.00 C ATOM 789 C ALA A 82 2.512 4.263 4.874 1.00 0.00 C ATOM 790 O ALA A 82 1.283 4.283 4.798 1.00 0.00 O ATOM 791 CB ALA A 82 4.166 2.545 4.119 1.00 0.00 C ATOM 0 H ALA A 82 1.360 2.077 5.263 1.00 0.00 H new ATOM 0 HA ALA A 82 3.856 3.191 6.134 1.00 0.00 H new ATOM 0 HB1 ALA A 82 4.860 3.351 3.880 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.727 1.662 4.425 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.568 2.308 3.239 1.00 0.00 H new ATOM 797 N PHE A 83 3.269 5.329 4.638 1.00 0.00 N ATOM 798 CA PHE A 83 2.687 6.614 4.269 1.00 0.00 C ATOM 799 C PHE A 83 3.347 7.169 3.010 1.00 0.00 C ATOM 800 O PHE A 83 4.556 7.397 2.978 1.00 0.00 O ATOM 801 CB PHE A 83 2.833 7.613 5.418 1.00 0.00 C ATOM 802 CG PHE A 83 1.843 7.400 6.527 1.00 0.00 C ATOM 803 CD1 PHE A 83 2.124 6.526 7.565 1.00 0.00 C ATOM 804 CD2 PHE A 83 0.633 8.075 6.533 1.00 0.00 C ATOM 805 CE1 PHE A 83 1.214 6.327 8.587 1.00 0.00 C ATOM 806 CE2 PHE A 83 -0.280 7.881 7.552 1.00 0.00 C ATOM 807 CZ PHE A 83 0.012 7.006 8.581 1.00 0.00 C ATOM 0 H PHE A 83 4.287 5.329 4.696 1.00 0.00 H new ATOM 0 HA PHE A 83 1.628 6.459 4.064 1.00 0.00 H new ATOM 0 HB2 PHE A 83 3.842 7.543 5.824 1.00 0.00 H new ATOM 0 HB3 PHE A 83 2.717 8.624 5.027 1.00 0.00 H new ATOM 0 HD1 PHE A 83 3.064 5.994 7.576 1.00 0.00 H new ATOM 0 HD2 PHE A 83 0.401 8.761 5.732 1.00 0.00 H new ATOM 0 HE1 PHE A 83 1.443 5.641 9.389 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -1.220 8.412 7.544 1.00 0.00 H new ATOM 0 HZ PHE A 83 -0.699 6.854 9.379 1.00 0.00 H new ATOM 817 N VAL A 84 2.543 7.383 1.973 1.00 0.00 N ATOM 818 CA VAL A 84 3.048 7.911 0.711 1.00 0.00 C ATOM 819 C VAL A 84 2.531 9.324 0.461 1.00 0.00 C ATOM 820 O VAL A 84 1.330 9.581 0.543 1.00 0.00 O ATOM 821 CB VAL A 84 2.647 7.013 -0.474 1.00 0.00 C ATOM 822 CG1 VAL A 84 3.289 7.508 -1.761 1.00 0.00 C ATOM 823 CG2 VAL A 84 3.032 5.567 -0.200 1.00 0.00 C ATOM 0 H VAL A 84 1.540 7.199 1.982 1.00 0.00 H new ATOM 0 HA VAL A 84 4.135 7.933 0.789 1.00 0.00 H new ATOM 0 HB VAL A 84 1.565 7.062 -0.594 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.994 6.861 -2.587 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.960 8.527 -1.963 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.374 7.491 -1.656 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.741 4.946 -1.048 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.110 5.499 -0.053 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.521 5.218 0.697 1.00 0.00 H new ATOM 833 N THR A 85 3.447 10.237 0.155 1.00 0.00 N ATOM 834 CA THR A 85 3.085 11.625 -0.107 1.00 0.00 C ATOM 835 C THR A 85 3.417 12.018 -1.542 1.00 0.00 C ATOM 836 O THR A 85 4.578 12.246 -1.881 1.00 0.00 O ATOM 837 CB THR A 85 3.808 12.585 0.857 1.00 0.00 C ATOM 838 OG1 THR A 85 3.549 12.205 2.213 1.00 0.00 O ATOM 839 CG2 THR A 85 3.354 14.020 0.631 1.00 0.00 C ATOM 0 H THR A 85 4.445 10.041 0.082 1.00 0.00 H new ATOM 0 HA THR A 85 2.009 11.707 0.049 1.00 0.00 H new ATOM 0 HB THR A 85 4.879 12.524 0.662 1.00 0.00 H new ATOM 0 HG1 THR A 85 4.014 12.819 2.819 1.00 0.00 H new ATOM 0 HG21 THR A 85 3.877 14.680 1.322 1.00 0.00 H new ATOM 0 HG22 THR A 85 3.579 14.316 -0.394 1.00 0.00 H new ATOM 0 HG23 THR A 85 2.280 14.093 0.802 1.00 0.00 H new ATOM 847 N PHE A 86 2.389 12.097 -2.381 1.00 0.00 N ATOM 848 CA PHE A 86 2.572 12.464 -3.781 1.00 0.00 C ATOM 849 C PHE A 86 2.919 13.943 -3.915 1.00 0.00 C ATOM 850 O PHE A 86 2.676 14.734 -3.003 1.00 0.00 O ATOM 851 CB PHE A 86 1.307 12.150 -4.582 1.00 0.00 C ATOM 852 CG PHE A 86 1.168 10.697 -4.938 1.00 0.00 C ATOM 853 CD1 PHE A 86 0.586 9.806 -4.051 1.00 0.00 C ATOM 854 CD2 PHE A 86 1.618 10.224 -6.159 1.00 0.00 C ATOM 855 CE1 PHE A 86 0.456 8.468 -4.375 1.00 0.00 C ATOM 856 CE2 PHE A 86 1.490 8.888 -6.490 1.00 0.00 C ATOM 857 CZ PHE A 86 0.910 8.009 -5.596 1.00 0.00 C ATOM 0 H PHE A 86 1.421 11.912 -2.116 1.00 0.00 H new ATOM 0 HA PHE A 86 3.400 11.878 -4.179 1.00 0.00 H new ATOM 0 HB2 PHE A 86 0.435 12.460 -4.005 1.00 0.00 H new ATOM 0 HB3 PHE A 86 1.310 12.742 -5.498 1.00 0.00 H new ATOM 0 HD1 PHE A 86 0.230 10.161 -3.095 1.00 0.00 H new ATOM 0 HD2 PHE A 86 2.074 10.907 -6.861 1.00 0.00 H new ATOM 0 HE1 PHE A 86 0.000 7.783 -3.675 1.00 0.00 H new ATOM 0 HE2 PHE A 86 1.843 8.532 -7.446 1.00 0.00 H new ATOM 0 HZ PHE A 86 0.812 6.964 -5.851 1.00 0.00 H new ATOM 867 N MET A 87 3.488 14.310 -5.059 1.00 0.00 N ATOM 868 CA MET A 87 3.868 15.695 -5.313 1.00 0.00 C ATOM 869 C MET A 87 2.633 16.576 -5.477 1.00 0.00 C ATOM 870 O MET A 87 2.534 17.643 -4.870 1.00 0.00 O ATOM 871 CB MET A 87 4.743 15.785 -6.565 1.00 0.00 C ATOM 872 CG MET A 87 6.230 15.654 -6.277 1.00 0.00 C ATOM 873 SD MET A 87 7.017 17.243 -5.954 1.00 0.00 S ATOM 874 CE MET A 87 6.775 17.389 -4.186 1.00 0.00 C ATOM 0 H MET A 87 3.696 13.668 -5.824 1.00 0.00 H new ATOM 0 HA MET A 87 4.437 16.053 -4.455 1.00 0.00 H new ATOM 0 HB2 MET A 87 4.446 15.002 -7.263 1.00 0.00 H new ATOM 0 HB3 MET A 87 4.559 16.739 -7.059 1.00 0.00 H new ATOM 0 HG2 MET A 87 6.373 15.000 -5.417 1.00 0.00 H new ATOM 0 HG3 MET A 87 6.720 15.176 -7.125 1.00 0.00 H new ATOM 0 HE1 MET A 87 6.732 18.443 -3.910 1.00 0.00 H new ATOM 0 HE2 MET A 87 5.841 16.902 -3.905 1.00 0.00 H new ATOM 0 HE3 MET A 87 7.604 16.911 -3.665 1.00 0.00 H new ATOM 884 N PHE A 88 1.694 16.123 -6.302 1.00 0.00 N ATOM 885 CA PHE A 88 0.467 16.871 -6.547 1.00 0.00 C ATOM 886 C PHE A 88 -0.735 16.163 -5.927 1.00 0.00 C ATOM 887 O PHE A 88 -0.786 14.936 -5.838 1.00 0.00 O ATOM 888 CB PHE A 88 0.246 17.052 -8.050 1.00 0.00 C ATOM 889 CG PHE A 88 1.388 17.738 -8.745 1.00 0.00 C ATOM 890 CD1 PHE A 88 2.451 17.005 -9.247 1.00 0.00 C ATOM 891 CD2 PHE A 88 1.398 19.115 -8.896 1.00 0.00 C ATOM 892 CE1 PHE A 88 3.503 17.632 -9.887 1.00 0.00 C ATOM 893 CE2 PHE A 88 2.446 19.748 -9.536 1.00 0.00 C ATOM 894 CZ PHE A 88 3.501 19.006 -10.031 1.00 0.00 C ATOM 0 H PHE A 88 1.760 15.242 -6.812 1.00 0.00 H new ATOM 0 HA PHE A 88 0.570 17.851 -6.081 1.00 0.00 H new ATOM 0 HB2 PHE A 88 0.088 16.075 -8.506 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -0.665 17.629 -8.208 1.00 0.00 H new ATOM 0 HD1 PHE A 88 2.458 15.931 -9.137 1.00 0.00 H new ATOM 0 HD2 PHE A 88 0.577 19.700 -8.509 1.00 0.00 H new ATOM 0 HE1 PHE A 88 4.326 17.049 -10.274 1.00 0.00 H new ATOM 0 HE2 PHE A 88 2.441 20.822 -9.649 1.00 0.00 H new ATOM 0 HZ PHE A 88 4.322 19.499 -10.529 1.00 0.00 H new ATOM 904 N PRO A 89 -1.724 16.954 -5.486 1.00 0.00 N ATOM 905 CA PRO A 89 -2.943 16.426 -4.867 1.00 0.00 C ATOM 906 C PRO A 89 -3.836 15.701 -5.869 1.00 0.00 C ATOM 907 O PRO A 89 -4.507 14.729 -5.525 1.00 0.00 O ATOM 908 CB PRO A 89 -3.643 17.679 -4.336 1.00 0.00 C ATOM 909 CG PRO A 89 -3.144 18.786 -5.199 1.00 0.00 C ATOM 910 CD PRO A 89 -1.730 18.424 -5.559 1.00 0.00 C ATOM 0 HA PRO A 89 -2.721 15.686 -4.098 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -4.727 17.584 -4.401 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -3.400 17.854 -3.288 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -3.759 18.892 -6.092 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -3.181 19.739 -4.672 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -1.466 18.778 -6.556 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -1.014 18.864 -4.865 1.00 0.00 H new ATOM 918 N GLU A 90 -3.837 16.181 -7.108 1.00 0.00 N ATOM 919 CA GLU A 90 -4.648 15.578 -8.159 1.00 0.00 C ATOM 920 C GLU A 90 -4.239 14.128 -8.398 1.00 0.00 C ATOM 921 O GLU A 90 -5.085 13.237 -8.480 1.00 0.00 O ATOM 922 CB GLU A 90 -4.516 16.377 -9.458 1.00 0.00 C ATOM 923 CG GLU A 90 -3.181 16.186 -10.157 1.00 0.00 C ATOM 924 CD GLU A 90 -2.945 17.207 -11.253 1.00 0.00 C ATOM 925 OE1 GLU A 90 -3.486 18.327 -11.145 1.00 0.00 O ATOM 926 OE2 GLU A 90 -2.219 16.887 -12.217 1.00 0.00 O ATOM 0 H GLU A 90 -3.286 16.985 -7.409 1.00 0.00 H new ATOM 0 HA GLU A 90 -5.688 15.595 -7.834 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -5.317 16.085 -10.137 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -4.654 17.436 -9.239 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -2.378 16.254 -9.423 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -3.139 15.184 -10.584 1.00 0.00 H new ATOM 933 N HIS A 91 -2.934 13.898 -8.509 1.00 0.00 N ATOM 934 CA HIS A 91 -2.411 12.556 -8.739 1.00 0.00 C ATOM 935 C HIS A 91 -2.744 11.636 -7.568 1.00 0.00 C ATOM 936 O HIS A 91 -3.229 10.521 -7.761 1.00 0.00 O ATOM 937 CB HIS A 91 -0.897 12.605 -8.949 1.00 0.00 C ATOM 938 CG HIS A 91 -0.480 13.479 -10.091 1.00 0.00 C ATOM 939 ND1 HIS A 91 0.696 14.199 -10.097 1.00 0.00 N ATOM 940 CD2 HIS A 91 -1.088 13.746 -11.271 1.00 0.00 C ATOM 941 CE1 HIS A 91 0.792 14.872 -11.230 1.00 0.00 C ATOM 942 NE2 HIS A 91 -0.278 14.615 -11.960 1.00 0.00 N ATOM 0 H HIS A 91 -2.220 14.623 -8.443 1.00 0.00 H new ATOM 0 HA HIS A 91 -2.882 12.158 -9.638 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -0.423 12.964 -8.035 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -0.529 11.594 -9.123 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -2.034 13.349 -11.608 1.00 0.00 H new ATOM 0 HE1 HIS A 91 1.607 15.522 -11.511 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -0.471 14.999 -12.885 1.00 0.00 H new ATOM 951 N ALA A 92 -2.479 12.110 -6.355 1.00 0.00 N ATOM 952 CA ALA A 92 -2.751 11.330 -5.154 1.00 0.00 C ATOM 953 C ALA A 92 -4.176 10.788 -5.163 1.00 0.00 C ATOM 954 O ALA A 92 -4.434 9.683 -4.684 1.00 0.00 O ATOM 955 CB ALA A 92 -2.514 12.175 -3.911 1.00 0.00 C ATOM 0 H ALA A 92 -2.076 13.030 -6.178 1.00 0.00 H new ATOM 0 HA ALA A 92 -2.067 10.481 -5.139 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -2.721 11.580 -3.022 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -1.477 12.509 -3.891 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -3.174 13.042 -3.929 1.00 0.00 H new ATOM 961 N VAL A 93 -5.099 11.571 -5.711 1.00 0.00 N ATOM 962 CA VAL A 93 -6.499 11.169 -5.783 1.00 0.00 C ATOM 963 C VAL A 93 -6.684 9.991 -6.733 1.00 0.00 C ATOM 964 O VAL A 93 -7.332 9.001 -6.393 1.00 0.00 O ATOM 965 CB VAL A 93 -7.394 12.334 -6.247 1.00 0.00 C ATOM 966 CG1 VAL A 93 -8.834 11.869 -6.409 1.00 0.00 C ATOM 967 CG2 VAL A 93 -7.308 13.494 -5.267 1.00 0.00 C ATOM 0 H VAL A 93 -4.903 12.488 -6.112 1.00 0.00 H new ATOM 0 HA VAL A 93 -6.795 10.871 -4.777 1.00 0.00 H new ATOM 0 HB VAL A 93 -7.037 12.680 -7.217 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -9.452 12.705 -6.737 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -8.878 11.072 -7.151 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -9.206 11.496 -5.454 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -7.946 14.308 -5.610 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -7.639 13.164 -4.282 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -6.277 13.842 -5.205 1.00 0.00 H new ATOM 977 N LYS A 94 -6.110 10.104 -7.926 1.00 0.00 N ATOM 978 CA LYS A 94 -6.209 9.048 -8.926 1.00 0.00 C ATOM 979 C LYS A 94 -5.806 7.700 -8.336 1.00 0.00 C ATOM 980 O LYS A 94 -6.533 6.715 -8.462 1.00 0.00 O ATOM 981 CB LYS A 94 -5.324 9.374 -10.131 1.00 0.00 C ATOM 982 CG LYS A 94 -5.411 8.345 -11.245 1.00 0.00 C ATOM 983 CD LYS A 94 -4.247 8.474 -12.214 1.00 0.00 C ATOM 984 CE LYS A 94 -4.357 7.471 -13.353 1.00 0.00 C ATOM 985 NZ LYS A 94 -5.202 7.985 -14.465 1.00 0.00 N ATOM 0 H LYS A 94 -5.571 10.917 -8.224 1.00 0.00 H new ATOM 0 HA LYS A 94 -7.247 8.987 -9.251 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -5.607 10.350 -10.526 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -4.288 9.452 -9.800 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -5.420 7.343 -10.816 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -6.350 8.469 -11.784 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -4.220 9.485 -12.620 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -3.309 8.319 -11.681 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -3.361 7.240 -13.731 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -4.779 6.539 -12.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -5.252 7.273 -15.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -6.160 8.182 -14.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -4.786 8.860 -14.841 1.00 0.00 H new ATOM 999 N ALA A 95 -4.645 7.665 -7.691 1.00 0.00 N ATOM 1000 CA ALA A 95 -4.148 6.439 -7.079 1.00 0.00 C ATOM 1001 C ALA A 95 -5.109 5.931 -6.010 1.00 0.00 C ATOM 1002 O ALA A 95 -5.478 4.756 -6.001 1.00 0.00 O ATOM 1003 CB ALA A 95 -2.767 6.669 -6.484 1.00 0.00 C ATOM 0 H ALA A 95 -4.031 8.472 -7.579 1.00 0.00 H new ATOM 0 HA ALA A 95 -4.075 5.678 -7.856 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.408 5.745 -6.030 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -2.079 6.978 -7.271 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -2.823 7.448 -5.724 1.00 0.00 H new ATOM 1009 N TYR A 96 -5.510 6.821 -5.110 1.00 0.00 N ATOM 1010 CA TYR A 96 -6.426 6.462 -4.035 1.00 0.00 C ATOM 1011 C TYR A 96 -7.757 5.968 -4.594 1.00 0.00 C ATOM 1012 O TYR A 96 -8.517 5.286 -3.908 1.00 0.00 O ATOM 1013 CB TYR A 96 -6.661 7.660 -3.114 1.00 0.00 C ATOM 1014 CG TYR A 96 -7.976 7.603 -2.369 1.00 0.00 C ATOM 1015 CD1 TYR A 96 -8.309 6.500 -1.592 1.00 0.00 C ATOM 1016 CD2 TYR A 96 -8.884 8.652 -2.442 1.00 0.00 C ATOM 1017 CE1 TYR A 96 -9.509 6.444 -0.911 1.00 0.00 C ATOM 1018 CE2 TYR A 96 -10.086 8.604 -1.763 1.00 0.00 C ATOM 1019 CZ TYR A 96 -10.394 7.498 -0.998 1.00 0.00 C ATOM 1020 OH TYR A 96 -11.591 7.446 -0.321 1.00 0.00 O ATOM 0 H TYR A 96 -5.215 7.797 -5.104 1.00 0.00 H new ATOM 0 HA TYR A 96 -5.971 5.655 -3.461 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -5.846 7.718 -2.392 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -6.628 8.575 -3.706 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -7.618 5.673 -1.520 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -8.646 9.520 -3.040 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -9.753 5.579 -0.313 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -10.781 9.428 -1.831 1.00 0.00 H new ATOM 0 HH TYR A 96 -12.097 8.269 -0.488 1.00 0.00 H new ATOM 1030 N ALA A 97 -8.030 6.317 -5.847 1.00 0.00 N ATOM 1031 CA ALA A 97 -9.267 5.908 -6.502 1.00 0.00 C ATOM 1032 C ALA A 97 -9.121 4.530 -7.138 1.00 0.00 C ATOM 1033 O ALA A 97 -10.068 3.745 -7.163 1.00 0.00 O ATOM 1034 CB ALA A 97 -9.675 6.935 -7.548 1.00 0.00 C ATOM 0 H ALA A 97 -7.411 6.882 -6.429 1.00 0.00 H new ATOM 0 HA ALA A 97 -10.048 5.848 -5.744 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -10.600 6.617 -8.029 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -9.829 7.901 -7.068 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -8.888 7.023 -8.297 1.00 0.00 H new ATOM 1040 N GLU A 98 -7.929 4.244 -7.653 1.00 0.00 N ATOM 1041 CA GLU A 98 -7.662 2.961 -8.291 1.00 0.00 C ATOM 1042 C GLU A 98 -7.034 1.982 -7.303 1.00 0.00 C ATOM 1043 O GLU A 98 -7.576 0.906 -7.048 1.00 0.00 O ATOM 1044 CB GLU A 98 -6.738 3.148 -9.496 1.00 0.00 C ATOM 1045 CG GLU A 98 -7.363 3.954 -10.623 1.00 0.00 C ATOM 1046 CD GLU A 98 -8.191 3.099 -11.562 1.00 0.00 C ATOM 1047 OE1 GLU A 98 -8.784 2.106 -11.091 1.00 0.00 O ATOM 1048 OE2 GLU A 98 -8.247 3.423 -12.766 1.00 0.00 O ATOM 0 H GLU A 98 -7.134 4.883 -7.641 1.00 0.00 H new ATOM 0 HA GLU A 98 -8.612 2.549 -8.631 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -5.824 3.644 -9.169 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -6.450 2.169 -9.878 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -7.993 4.736 -10.199 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -6.575 4.451 -11.189 1.00 0.00 H new ATOM 1055 N VAL A 99 -5.887 2.363 -6.749 1.00 0.00 N ATOM 1056 CA VAL A 99 -5.185 1.520 -5.789 1.00 0.00 C ATOM 1057 C VAL A 99 -6.138 0.991 -4.722 1.00 0.00 C ATOM 1058 O VAL A 99 -6.200 -0.213 -4.473 1.00 0.00 O ATOM 1059 CB VAL A 99 -4.039 2.286 -5.102 1.00 0.00 C ATOM 1060 CG1 VAL A 99 -3.304 1.383 -4.124 1.00 0.00 C ATOM 1061 CG2 VAL A 99 -3.082 2.854 -6.139 1.00 0.00 C ATOM 0 H VAL A 99 -5.425 3.250 -6.949 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.769 0.682 -6.349 1.00 0.00 H new ATOM 0 HB VAL A 99 -4.466 3.117 -4.541 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -2.498 1.942 -3.648 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -3.999 1.029 -3.362 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -2.887 0.530 -4.659 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.278 3.392 -5.636 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -2.660 2.040 -6.729 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -3.621 3.537 -6.796 1.00 0.00 H new ATOM 1071 N ASP A 100 -6.879 1.898 -4.096 1.00 0.00 N ATOM 1072 CA ASP A 100 -7.831 1.523 -3.057 1.00 0.00 C ATOM 1073 C ASP A 100 -8.711 0.365 -3.519 1.00 0.00 C ATOM 1074 O ASP A 100 -9.789 0.575 -4.074 1.00 0.00 O ATOM 1075 CB ASP A 100 -8.702 2.721 -2.676 1.00 0.00 C ATOM 1076 CG ASP A 100 -9.462 2.497 -1.384 1.00 0.00 C ATOM 1077 OD1 ASP A 100 -8.894 1.877 -0.461 1.00 0.00 O ATOM 1078 OD2 ASP A 100 -10.626 2.942 -1.296 1.00 0.00 O ATOM 0 H ASP A 100 -6.839 2.899 -4.290 1.00 0.00 H new ATOM 0 HA ASP A 100 -7.267 1.201 -2.181 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -8.074 3.606 -2.576 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -9.410 2.922 -3.480 1.00 0.00 H new ATOM 1083 N GLY A 101 -8.243 -0.857 -3.286 1.00 0.00 N ATOM 1084 CA GLY A 101 -9.000 -2.030 -3.686 1.00 0.00 C ATOM 1085 C GLY A 101 -8.222 -2.929 -4.626 1.00 0.00 C ATOM 1086 O GLY A 101 -8.809 -3.698 -5.386 1.00 0.00 O ATOM 0 H GLY A 101 -7.354 -1.056 -2.828 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -9.283 -2.596 -2.798 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -9.924 -1.715 -4.171 1.00 0.00 H new ATOM 1090 N GLN A 102 -6.897 -2.830 -4.576 1.00 0.00 N ATOM 1091 CA GLN A 102 -6.039 -3.640 -5.433 1.00 0.00 C ATOM 1092 C GLN A 102 -5.220 -4.626 -4.607 1.00 0.00 C ATOM 1093 O GLN A 102 -4.939 -4.385 -3.432 1.00 0.00 O ATOM 1094 CB GLN A 102 -5.107 -2.743 -6.250 1.00 0.00 C ATOM 1095 CG GLN A 102 -3.974 -2.141 -5.436 1.00 0.00 C ATOM 1096 CD GLN A 102 -2.736 -1.872 -6.268 1.00 0.00 C ATOM 1097 OE1 GLN A 102 -1.665 -2.421 -6.006 1.00 0.00 O ATOM 1098 NE2 GLN A 102 -2.875 -1.022 -7.280 1.00 0.00 N ATOM 0 H GLN A 102 -6.395 -2.198 -3.952 1.00 0.00 H new ATOM 0 HA GLN A 102 -6.676 -4.205 -6.113 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -4.685 -3.323 -7.071 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -5.690 -1.938 -6.696 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -4.312 -1.209 -4.983 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -3.719 -2.817 -4.620 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -3.781 -0.589 -7.462 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -2.076 -0.802 -7.875 1.00 0.00 H new ATOM 1107 N VAL A 103 -4.839 -5.738 -5.228 1.00 0.00 N ATOM 1108 CA VAL A 103 -4.051 -6.760 -4.550 1.00 0.00 C ATOM 1109 C VAL A 103 -2.565 -6.599 -4.851 1.00 0.00 C ATOM 1110 O VAL A 103 -2.180 -6.281 -5.977 1.00 0.00 O ATOM 1111 CB VAL A 103 -4.496 -8.176 -4.962 1.00 0.00 C ATOM 1112 CG1 VAL A 103 -3.496 -9.213 -4.475 1.00 0.00 C ATOM 1113 CG2 VAL A 103 -5.888 -8.473 -4.426 1.00 0.00 C ATOM 0 H VAL A 103 -5.063 -5.954 -6.199 1.00 0.00 H new ATOM 0 HA VAL A 103 -4.218 -6.631 -3.481 1.00 0.00 H new ATOM 0 HB VAL A 103 -4.532 -8.225 -6.050 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -3.827 -10.207 -4.775 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -2.518 -9.009 -4.912 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -3.425 -9.167 -3.388 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -6.187 -9.477 -4.726 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -5.881 -8.407 -3.338 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -6.595 -7.748 -4.829 1.00 0.00 H new ATOM 1123 N PHE A 104 -1.734 -6.821 -3.838 1.00 0.00 N ATOM 1124 CA PHE A 104 -0.289 -6.700 -3.994 1.00 0.00 C ATOM 1125 C PHE A 104 0.427 -7.892 -3.368 1.00 0.00 C ATOM 1126 O PHE A 104 0.480 -8.025 -2.146 1.00 0.00 O ATOM 1127 CB PHE A 104 0.206 -5.400 -3.356 1.00 0.00 C ATOM 1128 CG PHE A 104 1.575 -4.989 -3.819 1.00 0.00 C ATOM 1129 CD1 PHE A 104 1.896 -4.995 -5.167 1.00 0.00 C ATOM 1130 CD2 PHE A 104 2.541 -4.599 -2.906 1.00 0.00 C ATOM 1131 CE1 PHE A 104 3.154 -4.617 -5.596 1.00 0.00 C ATOM 1132 CE2 PHE A 104 3.801 -4.219 -3.329 1.00 0.00 C ATOM 1133 CZ PHE A 104 4.108 -4.230 -4.676 1.00 0.00 C ATOM 0 H PHE A 104 -2.036 -7.086 -2.900 1.00 0.00 H new ATOM 0 HA PHE A 104 -0.063 -6.683 -5.060 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -0.500 -4.601 -3.582 1.00 0.00 H new ATOM 0 HB3 PHE A 104 0.218 -5.518 -2.272 1.00 0.00 H new ATOM 0 HD1 PHE A 104 1.154 -5.299 -5.891 1.00 0.00 H new ATOM 0 HD2 PHE A 104 2.307 -4.592 -1.852 1.00 0.00 H new ATOM 0 HE1 PHE A 104 3.391 -4.624 -6.650 1.00 0.00 H new ATOM 0 HE2 PHE A 104 4.544 -3.914 -2.607 1.00 0.00 H new ATOM 0 HZ PHE A 104 5.093 -3.936 -5.009 1.00 0.00 H new ATOM 1143 N GLN A 105 0.976 -8.757 -4.216 1.00 0.00 N ATOM 1144 CA GLN A 105 1.688 -9.939 -3.746 1.00 0.00 C ATOM 1145 C GLN A 105 0.827 -10.744 -2.777 1.00 0.00 C ATOM 1146 O GLN A 105 1.343 -11.428 -1.894 1.00 0.00 O ATOM 1147 CB GLN A 105 2.998 -9.536 -3.068 1.00 0.00 C ATOM 1148 CG GLN A 105 4.131 -9.268 -4.045 1.00 0.00 C ATOM 1149 CD GLN A 105 5.121 -8.244 -3.525 1.00 0.00 C ATOM 1150 OE1 GLN A 105 5.659 -8.386 -2.427 1.00 0.00 O ATOM 1151 NE2 GLN A 105 5.365 -7.204 -4.313 1.00 0.00 N ATOM 0 H GLN A 105 0.941 -8.661 -5.231 1.00 0.00 H new ATOM 0 HA GLN A 105 1.912 -10.564 -4.610 1.00 0.00 H new ATOM 0 HB2 GLN A 105 2.827 -8.642 -2.469 1.00 0.00 H new ATOM 0 HB3 GLN A 105 3.301 -10.327 -2.382 1.00 0.00 H new ATOM 0 HG2 GLN A 105 4.655 -10.201 -4.253 1.00 0.00 H new ATOM 0 HG3 GLN A 105 3.715 -8.919 -4.990 1.00 0.00 H new ATOM 0 HE21 GLN A 105 4.896 -7.127 -5.216 1.00 0.00 H new ATOM 0 HE22 GLN A 105 6.021 -6.482 -4.016 1.00 0.00 H new ATOM 1160 N GLY A 106 -0.489 -10.657 -2.949 1.00 0.00 N ATOM 1161 CA GLY A 106 -1.400 -11.382 -2.083 1.00 0.00 C ATOM 1162 C GLY A 106 -1.771 -10.593 -0.843 1.00 0.00 C ATOM 1163 O GLY A 106 -2.001 -11.168 0.221 1.00 0.00 O ATOM 0 H GLY A 106 -0.940 -10.097 -3.673 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -2.305 -11.628 -2.638 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -0.941 -12.325 -1.786 1.00 0.00 H new ATOM 1167 N ARG A 107 -1.828 -9.272 -0.979 1.00 0.00 N ATOM 1168 CA ARG A 107 -2.171 -8.403 0.141 1.00 0.00 C ATOM 1169 C ARG A 107 -3.151 -7.317 -0.294 1.00 0.00 C ATOM 1170 O ARG A 107 -2.873 -6.550 -1.216 1.00 0.00 O ATOM 1171 CB ARG A 107 -0.909 -7.763 0.722 1.00 0.00 C ATOM 1172 CG ARG A 107 -0.265 -8.582 1.828 1.00 0.00 C ATOM 1173 CD ARG A 107 -1.042 -8.470 3.130 1.00 0.00 C ATOM 1174 NE ARG A 107 -0.927 -9.678 3.943 1.00 0.00 N ATOM 1175 CZ ARG A 107 0.152 -9.985 4.654 1.00 0.00 C ATOM 1176 NH1 ARG A 107 1.203 -9.177 4.652 1.00 0.00 N ATOM 1177 NH2 ARG A 107 0.181 -11.103 5.368 1.00 0.00 N ATOM 0 H ARG A 107 -1.641 -8.780 -1.853 1.00 0.00 H new ATOM 0 HA ARG A 107 -2.648 -9.012 0.909 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -0.184 -7.616 -0.079 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -1.158 -6.776 1.111 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -0.212 -9.627 1.524 1.00 0.00 H new ATOM 0 HG3 ARG A 107 0.759 -8.243 1.984 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -0.676 -7.615 3.698 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -2.093 -8.280 2.910 1.00 0.00 H new ATOM 0 HE ARG A 107 -1.719 -10.321 3.966 1.00 0.00 H new ATOM 0 HH11 ARG A 107 1.184 -8.317 4.104 1.00 0.00 H new ATOM 0 HH12 ARG A 107 2.030 -9.415 5.199 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -0.626 -11.727 5.371 1.00 0.00 H new ATOM 0 HH22 ARG A 107 1.010 -11.338 5.914 1.00 0.00 H new ATOM 1191 N MET A 108 -4.297 -7.260 0.375 1.00 0.00 N ATOM 1192 CA MET A 108 -5.318 -6.268 0.058 1.00 0.00 C ATOM 1193 C MET A 108 -4.884 -4.877 0.512 1.00 0.00 C ATOM 1194 O MET A 108 -5.030 -4.521 1.682 1.00 0.00 O ATOM 1195 CB MET A 108 -6.646 -6.641 0.719 1.00 0.00 C ATOM 1196 CG MET A 108 -7.535 -7.513 -0.153 1.00 0.00 C ATOM 1197 SD MET A 108 -8.652 -6.549 -1.189 1.00 0.00 S ATOM 1198 CE MET A 108 -7.482 -5.622 -2.178 1.00 0.00 C ATOM 0 H MET A 108 -4.542 -7.889 1.140 1.00 0.00 H new ATOM 0 HA MET A 108 -5.451 -6.254 -1.024 1.00 0.00 H new ATOM 0 HB2 MET A 108 -6.443 -7.164 1.654 1.00 0.00 H new ATOM 0 HB3 MET A 108 -7.184 -5.728 0.974 1.00 0.00 H new ATOM 0 HG2 MET A 108 -6.910 -8.143 -0.787 1.00 0.00 H new ATOM 0 HG3 MET A 108 -8.119 -8.179 0.482 1.00 0.00 H new ATOM 0 HE1 MET A 108 -7.987 -5.216 -3.054 1.00 0.00 H new ATOM 0 HE2 MET A 108 -7.071 -4.805 -1.585 1.00 0.00 H new ATOM 0 HE3 MET A 108 -6.674 -6.280 -2.498 1.00 0.00 H new ATOM 1208 N LEU A 109 -4.351 -4.096 -0.421 1.00 0.00 N ATOM 1209 CA LEU A 109 -3.895 -2.744 -0.116 1.00 0.00 C ATOM 1210 C LEU A 109 -5.073 -1.836 0.226 1.00 0.00 C ATOM 1211 O LEU A 109 -6.011 -1.697 -0.559 1.00 0.00 O ATOM 1212 CB LEU A 109 -3.120 -2.167 -1.302 1.00 0.00 C ATOM 1213 CG LEU A 109 -1.835 -2.902 -1.685 1.00 0.00 C ATOM 1214 CD1 LEU A 109 -1.205 -2.269 -2.916 1.00 0.00 C ATOM 1215 CD2 LEU A 109 -0.854 -2.902 -0.522 1.00 0.00 C ATOM 0 H LEU A 109 -4.224 -4.375 -1.394 1.00 0.00 H new ATOM 0 HA LEU A 109 -3.236 -2.796 0.751 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -3.780 -2.154 -2.170 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -2.869 -1.131 -1.077 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.087 -3.936 -1.922 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -0.292 -2.805 -3.174 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -1.904 -2.321 -3.750 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -0.967 -1.226 -2.707 1.00 0.00 H new ATOM 0 HD21 LEU A 109 0.055 -3.429 -0.812 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -0.607 -1.875 -0.254 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -1.306 -3.402 0.335 1.00 0.00 H new ATOM 1227 N HIS A 110 -5.016 -1.220 1.402 1.00 0.00 N ATOM 1228 CA HIS A 110 -6.077 -0.323 1.847 1.00 0.00 C ATOM 1229 C HIS A 110 -5.603 1.127 1.834 1.00 0.00 C ATOM 1230 O HIS A 110 -4.753 1.520 2.634 1.00 0.00 O ATOM 1231 CB HIS A 110 -6.543 -0.707 3.252 1.00 0.00 C ATOM 1232 CG HIS A 110 -7.543 -1.822 3.267 1.00 0.00 C ATOM 1233 ND1 HIS A 110 -8.514 -1.948 4.238 1.00 0.00 N ATOM 1234 CD2 HIS A 110 -7.719 -2.865 2.423 1.00 0.00 C ATOM 1235 CE1 HIS A 110 -9.244 -3.021 3.990 1.00 0.00 C ATOM 1236 NE2 HIS A 110 -8.783 -3.595 2.894 1.00 0.00 N ATOM 0 H HIS A 110 -4.247 -1.325 2.064 1.00 0.00 H new ATOM 0 HA HIS A 110 -6.914 -0.420 1.156 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -5.677 -0.999 3.846 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -6.980 0.168 3.733 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -7.132 -3.083 1.543 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -10.077 -3.369 4.583 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -9.156 -4.443 2.467 1.00 0.00 H new ATOM 1245 N VAL A 111 -6.158 1.918 0.922 1.00 0.00 N ATOM 1246 CA VAL A 111 -5.793 3.325 0.805 1.00 0.00 C ATOM 1247 C VAL A 111 -6.849 4.221 1.441 1.00 0.00 C ATOM 1248 O VAL A 111 -8.050 3.993 1.284 1.00 0.00 O ATOM 1249 CB VAL A 111 -5.606 3.736 -0.668 1.00 0.00 C ATOM 1250 CG1 VAL A 111 -4.950 5.105 -0.761 1.00 0.00 C ATOM 1251 CG2 VAL A 111 -4.788 2.691 -1.412 1.00 0.00 C ATOM 0 H VAL A 111 -6.863 1.608 0.253 1.00 0.00 H new ATOM 0 HA VAL A 111 -4.848 3.452 1.332 1.00 0.00 H new ATOM 0 HB VAL A 111 -6.587 3.798 -1.138 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -4.826 5.379 -1.809 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -5.579 5.844 -0.265 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -3.974 5.075 -0.276 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -4.665 2.997 -2.451 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -3.808 2.595 -0.944 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -5.303 1.731 -1.375 1.00 0.00 H new ATOM 1261 N LEU A 112 -6.396 5.242 2.160 1.00 0.00 N ATOM 1262 CA LEU A 112 -7.302 6.175 2.820 1.00 0.00 C ATOM 1263 C LEU A 112 -6.761 7.600 2.751 1.00 0.00 C ATOM 1264 O LEU A 112 -5.581 7.855 2.991 1.00 0.00 O ATOM 1265 CB LEU A 112 -7.511 5.767 4.279 1.00 0.00 C ATOM 1266 CG LEU A 112 -8.723 6.381 4.981 1.00 0.00 C ATOM 1267 CD1 LEU A 112 -10.004 5.698 4.527 1.00 0.00 C ATOM 1268 CD2 LEU A 112 -8.571 6.282 6.492 1.00 0.00 C ATOM 0 H LEU A 112 -5.406 5.445 2.301 1.00 0.00 H new ATOM 0 HA LEU A 112 -8.259 6.144 2.300 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.603 4.682 4.322 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.617 6.034 4.842 1.00 0.00 H new ATOM 0 HG LEU A 112 -8.781 7.435 4.710 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -10.856 6.147 5.037 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -10.119 5.820 3.450 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -9.956 4.636 4.769 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -9.443 6.724 6.975 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -8.488 5.234 6.781 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -7.674 6.817 6.803 1.00 0.00 H new ATOM 1280 N PRO A 113 -7.644 8.553 2.418 1.00 0.00 N ATOM 1281 CA PRO A 113 -7.280 9.969 2.313 1.00 0.00 C ATOM 1282 C PRO A 113 -6.972 10.591 3.671 1.00 0.00 C ATOM 1283 O PRO A 113 -7.741 10.442 4.621 1.00 0.00 O ATOM 1284 CB PRO A 113 -8.526 10.612 1.700 1.00 0.00 C ATOM 1285 CG PRO A 113 -9.647 9.709 2.086 1.00 0.00 C ATOM 1286 CD PRO A 113 -9.068 8.322 2.120 1.00 0.00 C ATOM 0 HA PRO A 113 -6.375 10.114 1.723 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -8.680 11.621 2.083 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -8.438 10.693 0.617 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -10.054 9.986 3.058 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -10.465 9.773 1.368 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -9.544 7.707 2.884 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -9.201 7.808 1.168 1.00 0.00 H new ATOM 1294 N SER A 114 -5.844 11.288 3.756 1.00 0.00 N ATOM 1295 CA SER A 114 -5.434 11.930 4.999 1.00 0.00 C ATOM 1296 C SER A 114 -5.113 13.404 4.769 1.00 0.00 C ATOM 1297 O SER A 114 -4.371 13.755 3.851 1.00 0.00 O ATOM 1298 CB SER A 114 -4.215 11.217 5.588 1.00 0.00 C ATOM 1299 OG SER A 114 -4.040 11.551 6.954 1.00 0.00 O ATOM 0 H SER A 114 -5.197 11.423 2.979 1.00 0.00 H new ATOM 0 HA SER A 114 -6.262 11.862 5.705 1.00 0.00 H new ATOM 0 HB2 SER A 114 -4.336 10.139 5.487 1.00 0.00 H new ATOM 0 HB3 SER A 114 -3.322 11.492 5.026 1.00 0.00 H new ATOM 0 HG SER A 114 -3.256 11.082 7.308 1.00 0.00 H new ATOM 1305 N THR A 115 -5.677 14.264 5.611 1.00 0.00 N ATOM 1306 CA THR A 115 -5.453 15.700 5.501 1.00 0.00 C ATOM 1307 C THR A 115 -4.718 16.238 6.723 1.00 0.00 C ATOM 1308 O THR A 115 -4.377 15.484 7.635 1.00 0.00 O ATOM 1309 CB THR A 115 -6.780 16.465 5.337 1.00 0.00 C ATOM 1310 OG1 THR A 115 -7.835 15.763 6.004 1.00 0.00 O ATOM 1311 CG2 THR A 115 -7.129 16.635 3.866 1.00 0.00 C ATOM 0 H THR A 115 -6.293 13.991 6.377 1.00 0.00 H new ATOM 0 HA THR A 115 -4.840 15.856 4.614 1.00 0.00 H new ATOM 0 HB THR A 115 -6.662 17.453 5.782 1.00 0.00 H new ATOM 0 HG1 THR A 115 -8.675 16.256 5.897 1.00 0.00 H new ATOM 0 HG21 THR A 115 -8.070 17.178 3.776 1.00 0.00 H new ATOM 0 HG22 THR A 115 -6.338 17.194 3.367 1.00 0.00 H new ATOM 0 HG23 THR A 115 -7.230 15.655 3.400 1.00 0.00 H new ATOM 1319 N ILE A 116 -4.477 17.544 6.736 1.00 0.00 N ATOM 1320 CA ILE A 116 -3.783 18.182 7.848 1.00 0.00 C ATOM 1321 C ILE A 116 -4.766 18.637 8.921 1.00 0.00 C ATOM 1322 O ILE A 116 -5.411 19.677 8.787 1.00 0.00 O ATOM 1323 CB ILE A 116 -2.958 19.394 7.376 1.00 0.00 C ATOM 1324 CG1 ILE A 116 -1.912 18.958 6.349 1.00 0.00 C ATOM 1325 CG2 ILE A 116 -2.292 20.076 8.562 1.00 0.00 C ATOM 1326 CD1 ILE A 116 -2.479 18.736 4.964 1.00 0.00 C ATOM 0 H ILE A 116 -4.752 18.182 5.989 1.00 0.00 H new ATOM 0 HA ILE A 116 -3.109 17.436 8.269 1.00 0.00 H new ATOM 0 HB ILE A 116 -3.630 20.109 6.901 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -1.130 19.715 6.295 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -1.441 18.037 6.692 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -1.713 20.930 8.212 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -3.055 20.417 9.261 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -1.630 19.370 9.063 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -1.680 18.429 4.289 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -3.241 17.957 5.003 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -2.925 19.662 4.601 1.00 0.00 H new ATOM 1338 N LYS A 117 -4.876 17.851 9.986 1.00 0.00 N ATOM 1339 CA LYS A 117 -5.778 18.173 11.086 1.00 0.00 C ATOM 1340 C LYS A 117 -5.247 19.349 11.899 1.00 0.00 C ATOM 1341 O LYS A 117 -4.486 19.167 12.850 1.00 0.00 O ATOM 1342 CB LYS A 117 -5.964 16.955 11.993 1.00 0.00 C ATOM 1343 CG LYS A 117 -6.817 17.234 13.219 1.00 0.00 C ATOM 1344 CD LYS A 117 -6.728 16.103 14.229 1.00 0.00 C ATOM 1345 CE LYS A 117 -7.481 14.870 13.753 1.00 0.00 C ATOM 1346 NZ LYS A 117 -6.781 14.193 12.626 1.00 0.00 N ATOM 0 H LYS A 117 -4.351 16.985 10.111 1.00 0.00 H new ATOM 0 HA LYS A 117 -6.742 18.453 10.662 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -6.422 16.151 11.418 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -4.985 16.599 12.315 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -6.493 18.165 13.684 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -7.855 17.373 12.917 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -5.682 15.848 14.400 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -7.136 16.434 15.184 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -7.595 14.171 14.582 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -8.484 15.156 13.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -6.781 13.165 12.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -7.272 14.406 11.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -5.800 14.534 12.571 1.00 0.00 H new ATOM 1360 N LYS A 118 -5.653 20.556 11.520 1.00 0.00 N ATOM 1361 CA LYS A 118 -5.221 21.763 12.214 1.00 0.00 C ATOM 1362 C LYS A 118 -6.328 22.296 13.118 1.00 0.00 C ATOM 1363 O LYS A 118 -7.494 21.933 12.966 1.00 0.00 O ATOM 1364 CB LYS A 118 -4.810 22.837 11.205 1.00 0.00 C ATOM 1365 CG LYS A 118 -4.281 24.107 11.850 1.00 0.00 C ATOM 1366 CD LYS A 118 -3.587 25.000 10.836 1.00 0.00 C ATOM 1367 CE LYS A 118 -4.584 25.865 10.080 1.00 0.00 C ATOM 1368 NZ LYS A 118 -3.906 26.923 9.281 1.00 0.00 N ATOM 0 H LYS A 118 -6.282 20.724 10.735 1.00 0.00 H new ATOM 0 HA LYS A 118 -4.361 21.508 12.834 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -4.045 22.429 10.544 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -5.669 23.086 10.582 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -5.104 24.651 12.312 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -3.583 23.848 12.646 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -2.864 25.637 11.345 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -3.029 24.385 10.130 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -5.181 25.237 9.419 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -5.272 26.329 10.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -4.619 27.491 8.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -3.356 27.538 9.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -3.268 26.480 8.589 1.00 0.00 H new ATOM 1382 N GLU A 119 -5.955 23.160 14.057 1.00 0.00 N ATOM 1383 CA GLU A 119 -6.917 23.743 14.984 1.00 0.00 C ATOM 1384 C GLU A 119 -6.771 25.261 15.038 1.00 0.00 C ATOM 1385 O GLU A 119 -5.711 25.781 15.383 1.00 0.00 O ATOM 1386 CB GLU A 119 -6.733 23.152 16.384 1.00 0.00 C ATOM 1387 CG GLU A 119 -7.887 23.449 17.326 1.00 0.00 C ATOM 1388 CD GLU A 119 -9.181 22.790 16.890 1.00 0.00 C ATOM 1389 OE1 GLU A 119 -9.370 21.594 17.194 1.00 0.00 O ATOM 1390 OE2 GLU A 119 -10.006 23.471 16.245 1.00 0.00 O ATOM 0 H GLU A 119 -4.994 23.471 14.196 1.00 0.00 H new ATOM 0 HA GLU A 119 -7.918 23.504 14.625 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -6.612 22.072 16.300 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -5.812 23.543 16.816 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -7.630 23.107 18.329 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -8.035 24.527 17.385 1.00 0.00 H new ATOM 1397 N ALA A 120 -7.844 25.965 14.692 1.00 0.00 N ATOM 1398 CA ALA A 120 -7.836 27.423 14.701 1.00 0.00 C ATOM 1399 C ALA A 120 -9.255 27.980 14.655 1.00 0.00 C ATOM 1400 O ALA A 120 -9.965 27.814 13.664 1.00 0.00 O ATOM 1401 CB ALA A 120 -7.020 27.954 13.532 1.00 0.00 C ATOM 0 H ALA A 120 -8.729 25.550 14.402 1.00 0.00 H new ATOM 0 HA ALA A 120 -7.374 27.753 15.631 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -7.023 29.044 13.552 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -5.995 27.592 13.610 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -7.457 27.607 12.596 1.00 0.00 H new ATOM 1407 N SER A 121 -9.662 28.639 15.735 1.00 0.00 N ATOM 1408 CA SER A 121 -10.998 29.217 15.819 1.00 0.00 C ATOM 1409 C SER A 121 -11.002 30.654 15.308 1.00 0.00 C ATOM 1410 O SER A 121 -10.604 31.577 16.017 1.00 0.00 O ATOM 1411 CB SER A 121 -11.504 29.176 17.263 1.00 0.00 C ATOM 1412 OG SER A 121 -10.652 29.911 18.123 1.00 0.00 O ATOM 0 H SER A 121 -9.086 28.786 16.564 1.00 0.00 H new ATOM 0 HA SER A 121 -11.663 28.625 15.191 1.00 0.00 H new ATOM 0 HB2 SER A 121 -12.513 29.585 17.310 1.00 0.00 H new ATOM 0 HB3 SER A 121 -11.563 28.142 17.602 1.00 0.00 H new ATOM 0 HG SER A 121 -10.357 30.728 17.670 1.00 0.00 H new ATOM 1418 N GLN A 122 -11.455 30.834 14.071 1.00 0.00 N ATOM 1419 CA GLN A 122 -11.510 32.158 13.463 1.00 0.00 C ATOM 1420 C GLN A 122 -12.442 33.078 14.246 1.00 0.00 C ATOM 1421 O GLN A 122 -13.630 33.180 13.941 1.00 0.00 O ATOM 1422 CB GLN A 122 -11.977 32.057 12.010 1.00 0.00 C ATOM 1423 CG GLN A 122 -10.844 31.833 11.022 1.00 0.00 C ATOM 1424 CD GLN A 122 -11.304 31.914 9.579 1.00 0.00 C ATOM 1425 OE1 GLN A 122 -12.499 32.018 9.302 1.00 0.00 O ATOM 1426 NE2 GLN A 122 -10.355 31.867 8.651 1.00 0.00 N ATOM 0 H GLN A 122 -11.789 30.080 13.471 1.00 0.00 H new ATOM 0 HA GLN A 122 -10.506 32.582 13.486 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -12.691 31.238 11.923 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -12.506 32.972 11.742 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -10.065 32.576 11.193 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -10.397 30.855 11.203 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -9.377 31.780 8.926 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -10.605 31.918 7.663 1.00 0.00 H new ATOM 1435 N SER A 123 -11.895 33.745 15.257 1.00 0.00 N ATOM 1436 CA SER A 123 -12.678 34.653 16.087 1.00 0.00 C ATOM 1437 C SER A 123 -11.814 35.800 16.602 1.00 0.00 C ATOM 1438 O SER A 123 -10.898 35.594 17.397 1.00 0.00 O ATOM 1439 CB SER A 123 -13.296 33.897 17.264 1.00 0.00 C ATOM 1440 OG SER A 123 -12.293 33.342 18.097 1.00 0.00 O ATOM 0 H SER A 123 -10.912 33.674 15.521 1.00 0.00 H new ATOM 0 HA SER A 123 -13.476 35.070 15.473 1.00 0.00 H new ATOM 0 HB2 SER A 123 -13.923 34.573 17.845 1.00 0.00 H new ATOM 0 HB3 SER A 123 -13.943 33.103 16.891 1.00 0.00 H new ATOM 0 HG SER A 123 -11.514 33.937 18.112 1.00 0.00 H new ATOM 1446 N GLY A 124 -12.112 37.011 16.141 1.00 0.00 N ATOM 1447 CA GLY A 124 -11.354 38.174 16.565 1.00 0.00 C ATOM 1448 C GLY A 124 -11.916 39.467 16.008 1.00 0.00 C ATOM 1449 O GLY A 124 -11.324 40.102 15.136 1.00 0.00 O ATOM 0 H GLY A 124 -12.865 37.207 15.481 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -11.349 38.223 17.654 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -10.318 38.065 16.246 1.00 0.00 H new ATOM 1453 N PRO A 125 -13.089 39.874 16.517 1.00 0.00 N ATOM 1454 CA PRO A 125 -13.757 41.103 16.079 1.00 0.00 C ATOM 1455 C PRO A 125 -13.015 42.358 16.526 1.00 0.00 C ATOM 1456 O PRO A 125 -13.308 43.461 16.065 1.00 0.00 O ATOM 1457 CB PRO A 125 -15.128 41.022 16.756 1.00 0.00 C ATOM 1458 CG PRO A 125 -14.909 40.162 17.952 1.00 0.00 C ATOM 1459 CD PRO A 125 -13.852 39.167 17.559 1.00 0.00 C ATOM 0 HA PRO A 125 -13.806 41.175 14.992 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -15.488 42.011 17.040 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -15.874 40.590 16.089 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -14.586 40.757 18.807 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -15.830 39.658 18.244 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -13.221 38.896 18.405 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -14.290 38.244 17.180 1.00 0.00 H new ATOM 1467 N SER A 126 -12.054 42.182 17.427 1.00 0.00 N ATOM 1468 CA SER A 126 -11.272 43.301 17.939 1.00 0.00 C ATOM 1469 C SER A 126 -10.919 44.275 16.819 1.00 0.00 C ATOM 1470 O SER A 126 -11.201 45.470 16.909 1.00 0.00 O ATOM 1471 CB SER A 126 -9.994 42.794 18.609 1.00 0.00 C ATOM 1472 OG SER A 126 -9.217 42.023 17.709 1.00 0.00 O ATOM 0 H SER A 126 -11.798 41.275 17.818 1.00 0.00 H new ATOM 0 HA SER A 126 -11.877 43.827 18.677 1.00 0.00 H new ATOM 0 HB2 SER A 126 -9.408 43.640 18.968 1.00 0.00 H new ATOM 0 HB3 SER A 126 -10.251 42.192 19.480 1.00 0.00 H new ATOM 0 HG SER A 126 -8.405 41.712 18.161 1.00 0.00 H new ATOM 1478 N SER A 127 -10.301 43.755 15.763 1.00 0.00 N ATOM 1479 CA SER A 127 -9.906 44.578 14.626 1.00 0.00 C ATOM 1480 C SER A 127 -11.019 45.550 14.246 1.00 0.00 C ATOM 1481 O SER A 127 -12.201 45.219 14.328 1.00 0.00 O ATOM 1482 CB SER A 127 -9.553 43.695 13.428 1.00 0.00 C ATOM 1483 OG SER A 127 -9.061 44.471 12.350 1.00 0.00 O ATOM 0 H SER A 127 -10.063 42.767 15.671 1.00 0.00 H new ATOM 0 HA SER A 127 -9.027 45.154 14.914 1.00 0.00 H new ATOM 0 HB2 SER A 127 -8.804 42.960 13.722 1.00 0.00 H new ATOM 0 HB3 SER A 127 -10.435 43.141 13.108 1.00 0.00 H new ATOM 0 HG SER A 127 -8.841 43.883 11.597 1.00 0.00 H new ATOM 1489 N GLY A 128 -10.631 46.751 13.829 1.00 0.00 N ATOM 1490 CA GLY A 128 -11.607 47.753 13.442 1.00 0.00 C ATOM 1491 C GLY A 128 -12.243 48.435 14.637 1.00 0.00 C ATOM 1492 O GLY A 128 -13.362 48.941 14.549 1.00 0.00 O ATOM 0 H GLY A 128 -9.658 47.048 13.752 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -11.125 48.502 12.814 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -12.385 47.284 12.839 1.00 0.00 H new TER 1496 GLY A 128