USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 643 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 109 LYS NZ :NH3+ -173:sc= 2.27 (180deg=1.22) USER MOD Set 1.2: A 127 GLN : amide:sc= 2.65 K(o=4.9,f=-4.3) USER MOD Set 2.1: A 77 SER OG : rot 112:sc= 1.27 USER MOD Set 2.2: A 115 ASN : amide:sc= 0.492 K(o=1.8,f=1.2) USER MOD Set 3.1: A 76 MET CE :methyl -176:sc= -0.0292 (180deg=-0.0811) USER MOD Set 3.2: A 81 CYS SG : rot 180:sc= -0.666 USER MOD Set 4.1: A 55 SER OG : rot -170:sc= 0.00694 USER MOD Set 4.2: A 57 THR OG1 : rot -150:sc= 0.958 USER MOD Single : A 56 ASN : amide:sc= 0.56 K(o=0.56,f=-0.24) USER MOD Single : A 64 ASN : amide:sc=-0.00621 K(o=-0.0062,f=-2.2) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= 1.02 K(o=1,f=-7.6!) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.129 USER MOD Single : A 71 ASN : amide:sc= -0.0787 X(o=-0.079,f=-0.53) USER MOD Single : A 74 ASN : amide:sc= 0.22 K(o=0.22,f=-4.9!) USER MOD Single : A 79 HIS : no HD1:sc= -8.22! C(o=-8.2!,f=-7!) USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ -110:sc= 1.4 (180deg=-0.506) USER MOD Single : A 87 LYS NZ :NH3+ -149:sc= 0.6 (180deg=-0.463) USER MOD Single : A 92 GLN : amide:sc= -0.441 K(o=-0.44,f=-3.1!) USER MOD Single : A 95 CYS SG : rot 180:sc= -0.0137 USER MOD Single : A 96 CYS SG : rot 107:sc= 0.954 USER MOD Single : A 103 HIS : no HD1:sc= -0.212 K(o=1.9,f=-11!) USER MOD Single : A 105 HIS : no HE2:sc= -4.27! K(o=-4.3!,f=-3.1) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.109) USER MOD Single : A 116 THR OG1 : rot -140:sc= -0.821 USER MOD Single : A 120 SER OG : rot -29:sc= 0.326 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 55 -12.680 7.986 3.003 1.00 0.00 N ATOM 2 CA SER A 55 -12.533 7.420 1.659 1.00 0.00 C ATOM 3 C SER A 55 -12.653 5.930 1.708 1.00 0.00 C ATOM 4 O SER A 55 -12.926 5.344 2.753 1.00 0.00 O ATOM 5 CB SER A 55 -11.151 7.773 1.076 1.00 0.00 C ATOM 6 OG SER A 55 -11.159 7.628 -0.341 1.00 0.00 O ATOM 0 HA SER A 55 -13.320 7.838 1.031 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.888 8.797 1.342 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.390 7.125 1.510 1.00 0.00 H new ATOM 0 HG SER A 55 -10.243 7.700 -0.682 1.00 0.00 H new ATOM 14 N ASN A 56 -12.465 5.289 0.541 1.00 0.00 N ATOM 15 CA ASN A 56 -12.400 3.860 0.480 1.00 0.00 C ATOM 16 C ASN A 56 -11.404 3.534 -0.590 1.00 0.00 C ATOM 17 O ASN A 56 -11.390 2.440 -1.149 1.00 0.00 O ATOM 18 CB ASN A 56 -13.763 3.225 0.167 1.00 0.00 C ATOM 19 CG ASN A 56 -13.709 1.745 0.535 1.00 0.00 C ATOM 20 OD1 ASN A 56 -13.608 1.386 1.708 1.00 0.00 O ATOM 21 ND2 ASN A 56 -13.780 0.861 -0.493 1.00 0.00 N ATOM 0 H ASN A 56 -12.358 5.757 -0.359 1.00 0.00 H new ATOM 0 HA ASN A 56 -12.104 3.455 1.448 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -14.551 3.726 0.729 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -14.001 3.343 -0.890 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -13.750 -0.141 -0.307 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -13.863 1.199 -1.452 1.00 0.00 H new ATOM 28 N THR A 57 -10.497 4.495 -0.855 1.00 0.00 N ATOM 29 CA THR A 57 -9.566 4.348 -1.933 1.00 0.00 C ATOM 30 C THR A 57 -8.212 4.713 -1.406 1.00 0.00 C ATOM 31 O THR A 57 -8.056 5.700 -0.685 1.00 0.00 O ATOM 32 CB THR A 57 -9.885 5.262 -3.130 1.00 0.00 C ATOM 33 OG1 THR A 57 -9.797 6.632 -2.752 1.00 0.00 O ATOM 34 CG2 THR A 57 -11.309 5.090 -3.665 1.00 0.00 C ATOM 0 H THR A 57 -10.409 5.364 -0.329 1.00 0.00 H new ATOM 0 HA THR A 57 -9.617 3.320 -2.291 1.00 0.00 H new ATOM 0 HB THR A 57 -9.158 4.981 -3.892 1.00 0.00 H new ATOM 0 HG1 THR A 57 -10.418 7.162 -3.294 1.00 0.00 H new ATOM 0 HG21 THR A 57 -11.465 5.764 -4.507 1.00 0.00 H new ATOM 0 HG22 THR A 57 -11.453 4.060 -3.993 1.00 0.00 H new ATOM 0 HG23 THR A 57 -12.025 5.323 -2.876 1.00 0.00 H new ATOM 42 N ILE A 58 -7.192 3.908 -1.757 1.00 0.00 N ATOM 43 CA ILE A 58 -5.836 4.284 -1.478 1.00 0.00 C ATOM 44 C ILE A 58 -5.059 3.997 -2.719 1.00 0.00 C ATOM 45 O ILE A 58 -5.445 3.150 -3.524 1.00 0.00 O ATOM 46 CB ILE A 58 -5.170 3.560 -0.294 1.00 0.00 C ATOM 47 CG1 ILE A 58 -6.168 2.929 0.685 1.00 0.00 C ATOM 48 CG2 ILE A 58 -4.156 4.442 0.468 1.00 0.00 C ATOM 49 CD1 ILE A 58 -6.636 1.529 0.268 1.00 0.00 C ATOM 0 H ILE A 58 -7.301 3.009 -2.227 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.845 5.334 -1.186 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.618 2.745 -0.763 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.709 2.870 1.672 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -7.037 3.581 0.776 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.723 3.872 1.290 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.364 4.757 -0.212 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.664 5.321 0.864 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -7.340 1.145 1.007 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -7.125 1.584 -0.705 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.776 0.862 0.205 1.00 0.00 H new ATOM 61 N ARG A 59 -3.950 4.728 -2.931 1.00 0.00 N ATOM 62 CA ARG A 59 -3.211 4.558 -4.142 1.00 0.00 C ATOM 63 C ARG A 59 -1.995 3.777 -3.808 1.00 0.00 C ATOM 64 O ARG A 59 -1.530 3.809 -2.679 1.00 0.00 O ATOM 65 CB ARG A 59 -2.811 5.900 -4.744 1.00 0.00 C ATOM 66 CG ARG A 59 -4.018 6.707 -5.226 1.00 0.00 C ATOM 67 CD ARG A 59 -4.216 8.032 -4.483 1.00 0.00 C ATOM 68 NE ARG A 59 -5.647 8.428 -4.642 1.00 0.00 N ATOM 69 CZ ARG A 59 -6.616 7.867 -3.865 1.00 0.00 C ATOM 70 NH1 ARG A 59 -6.314 7.319 -2.671 1.00 0.00 N ATOM 71 NH2 ARG A 59 -7.920 8.107 -4.127 1.00 0.00 N ATOM 0 H ARG A 59 -3.573 5.419 -2.283 1.00 0.00 H new ATOM 0 HA ARG A 59 -3.826 4.043 -4.880 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.263 6.480 -4.001 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -2.132 5.732 -5.580 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -3.904 6.912 -6.290 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -4.917 6.101 -5.113 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -3.964 7.921 -3.428 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -3.558 8.801 -4.889 1.00 0.00 H new ATOM 0 HE ARG A 59 -5.902 9.126 -5.340 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -5.350 7.321 -2.338 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -7.050 6.903 -2.100 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -8.181 8.709 -4.908 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -8.643 7.686 -3.544 1.00 0.00 H new ATOM 85 N VAL A 60 -1.478 3.029 -4.796 1.00 0.00 N ATOM 86 CA VAL A 60 -0.327 2.208 -4.556 1.00 0.00 C ATOM 87 C VAL A 60 0.697 2.578 -5.573 1.00 0.00 C ATOM 88 O VAL A 60 0.524 2.328 -6.764 1.00 0.00 O ATOM 89 CB VAL A 60 -0.588 0.700 -4.652 1.00 0.00 C ATOM 90 CG1 VAL A 60 0.540 -0.149 -4.052 1.00 0.00 C ATOM 91 CG2 VAL A 60 -1.922 0.271 -4.022 1.00 0.00 C ATOM 0 H VAL A 60 -1.846 2.989 -5.746 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.006 2.391 -3.530 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.634 0.513 -5.725 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.293 -1.206 -4.152 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.471 0.058 -4.580 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.659 0.097 -2.997 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.043 -0.807 -4.125 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.928 0.537 -2.965 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.743 0.778 -4.528 1.00 0.00 H new ATOM 101 N PHE A 61 1.812 3.159 -5.099 1.00 0.00 N ATOM 102 CA PHE A 61 2.877 3.542 -5.979 1.00 0.00 C ATOM 103 C PHE A 61 3.893 2.445 -5.925 1.00 0.00 C ATOM 104 O PHE A 61 4.121 1.838 -4.878 1.00 0.00 O ATOM 105 CB PHE A 61 3.548 4.855 -5.552 1.00 0.00 C ATOM 106 CG PHE A 61 2.706 5.987 -6.041 1.00 0.00 C ATOM 107 CD1 PHE A 61 1.430 6.205 -5.539 1.00 0.00 C ATOM 108 CD2 PHE A 61 3.222 6.919 -6.947 1.00 0.00 C ATOM 109 CE1 PHE A 61 0.695 7.313 -5.920 1.00 0.00 C ATOM 110 CE2 PHE A 61 2.503 8.050 -7.292 1.00 0.00 C ATOM 111 CZ PHE A 61 1.238 8.247 -6.772 1.00 0.00 C ATOM 0 H PHE A 61 1.979 3.364 -4.114 1.00 0.00 H new ATOM 0 HA PHE A 61 2.474 3.698 -6.980 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.648 4.896 -4.467 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.553 4.921 -5.968 1.00 0.00 H new ATOM 0 HD1 PHE A 61 1.005 5.499 -4.841 1.00 0.00 H new ATOM 0 HD2 PHE A 61 4.196 6.754 -7.384 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.310 7.446 -5.547 1.00 0.00 H new ATOM 0 HE2 PHE A 61 2.930 8.777 -7.967 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.677 9.132 -7.034 1.00 0.00 H new ATOM 121 N LEU A 62 4.534 2.140 -7.073 1.00 0.00 N ATOM 122 CA LEU A 62 5.360 0.969 -7.128 1.00 0.00 C ATOM 123 C LEU A 62 6.766 1.383 -6.808 1.00 0.00 C ATOM 124 O LEU A 62 7.125 2.561 -6.869 1.00 0.00 O ATOM 125 CB LEU A 62 5.344 0.274 -8.498 1.00 0.00 C ATOM 126 CG LEU A 62 4.119 -0.619 -8.719 1.00 0.00 C ATOM 127 CD1 LEU A 62 4.250 -2.002 -8.073 1.00 0.00 C ATOM 128 CD2 LEU A 62 2.813 0.021 -8.247 1.00 0.00 C ATOM 0 H LEU A 62 4.484 2.683 -7.935 1.00 0.00 H new ATOM 0 HA LEU A 62 4.966 0.250 -6.409 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.377 1.032 -9.281 1.00 0.00 H new ATOM 0 HB3 LEU A 62 6.246 -0.329 -8.601 1.00 0.00 H new ATOM 0 HG LEU A 62 4.081 -0.741 -9.801 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.348 -2.582 -8.268 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.112 -2.520 -8.493 1.00 0.00 H new ATOM 0 HD13 LEU A 62 4.383 -1.890 -6.997 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.985 -0.663 -8.432 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.877 0.233 -7.180 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.645 0.950 -8.792 1.00 0.00 H new ATOM 140 N PRO A 63 7.571 0.345 -6.621 1.00 0.00 N ATOM 141 CA PRO A 63 8.945 0.750 -6.410 1.00 0.00 C ATOM 142 C PRO A 63 9.507 0.940 -7.800 1.00 0.00 C ATOM 143 O PRO A 63 10.619 1.436 -7.967 1.00 0.00 O ATOM 144 CB PRO A 63 9.608 -0.442 -5.761 1.00 0.00 C ATOM 145 CG PRO A 63 8.487 -1.288 -5.163 1.00 0.00 C ATOM 146 CD PRO A 63 7.186 -0.764 -5.768 1.00 0.00 C ATOM 0 HA PRO A 63 9.076 1.647 -5.805 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.178 -1.015 -6.492 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.308 -0.124 -4.989 1.00 0.00 H new ATOM 0 HG2 PRO A 63 8.628 -2.343 -5.398 1.00 0.00 H new ATOM 0 HG3 PRO A 63 8.473 -1.203 -4.076 1.00 0.00 H new ATOM 0 HD2 PRO A 63 6.679 -1.541 -6.340 1.00 0.00 H new ATOM 0 HD3 PRO A 63 6.495 -0.439 -4.990 1.00 0.00 H new ATOM 154 N ASN A 64 8.715 0.604 -8.842 1.00 0.00 N ATOM 155 CA ASN A 64 9.111 0.873 -10.193 1.00 0.00 C ATOM 156 C ASN A 64 8.621 2.254 -10.535 1.00 0.00 C ATOM 157 O ASN A 64 8.566 2.624 -11.706 1.00 0.00 O ATOM 158 CB ASN A 64 8.503 -0.110 -11.208 1.00 0.00 C ATOM 159 CG ASN A 64 8.786 -1.529 -10.730 1.00 0.00 C ATOM 160 OD1 ASN A 64 8.110 -2.047 -9.840 1.00 0.00 O ATOM 161 ND2 ASN A 64 9.797 -2.191 -11.352 1.00 0.00 N ATOM 0 H ASN A 64 7.807 0.149 -8.748 1.00 0.00 H new ATOM 0 HA ASN A 64 10.195 0.774 -10.253 1.00 0.00 H new ATOM 0 HB2 ASN A 64 7.429 0.053 -11.298 1.00 0.00 H new ATOM 0 HB3 ASN A 64 8.933 0.050 -12.196 1.00 0.00 H new ATOM 0 HD21 ASN A 64 10.018 -3.151 -11.086 1.00 0.00 H new ATOM 0 HD22 ASN A 64 10.335 -1.728 -12.085 1.00 0.00 H new ATOM 168 N LYS A 65 8.182 3.010 -9.502 1.00 0.00 N ATOM 169 CA LYS A 65 7.831 4.395 -9.669 1.00 0.00 C ATOM 170 C LYS A 65 6.447 4.460 -10.235 1.00 0.00 C ATOM 171 O LYS A 65 5.955 5.534 -10.585 1.00 0.00 O ATOM 172 CB LYS A 65 8.791 5.224 -10.533 1.00 0.00 C ATOM 173 CG LYS A 65 10.269 4.971 -10.216 1.00 0.00 C ATOM 174 CD LYS A 65 10.775 5.740 -8.991 1.00 0.00 C ATOM 175 CE LYS A 65 12.016 5.112 -8.350 1.00 0.00 C ATOM 176 NZ LYS A 65 12.428 5.893 -7.188 1.00 0.00 N ATOM 0 H LYS A 65 8.070 2.661 -8.550 1.00 0.00 H new ATOM 0 HA LYS A 65 7.897 4.849 -8.680 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.609 4.999 -11.584 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.573 6.283 -10.392 1.00 0.00 H new ATOM 0 HG2 LYS A 65 10.419 3.904 -10.052 1.00 0.00 H new ATOM 0 HG3 LYS A 65 10.870 5.248 -11.082 1.00 0.00 H new ATOM 0 HD2 LYS A 65 11.005 6.764 -9.284 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.978 5.792 -8.249 1.00 0.00 H new ATOM 0 HE2 LYS A 65 11.801 4.086 -8.051 1.00 0.00 H new ATOM 0 HE3 LYS A 65 12.828 5.069 -9.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 13.271 5.460 -6.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 12.651 6.865 -7.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 11.656 5.912 -6.491 1.00 0.00 H new ATOM 190 N GLN A 66 5.756 3.305 -10.282 1.00 0.00 N ATOM 191 CA GLN A 66 4.459 3.261 -10.888 1.00 0.00 C ATOM 192 C GLN A 66 3.448 3.620 -9.858 1.00 0.00 C ATOM 193 O GLN A 66 3.783 4.081 -8.773 1.00 0.00 O ATOM 194 CB GLN A 66 4.093 1.912 -11.520 1.00 0.00 C ATOM 195 CG GLN A 66 4.311 1.863 -13.028 1.00 0.00 C ATOM 196 CD GLN A 66 3.048 2.378 -13.694 1.00 0.00 C ATOM 197 OE1 GLN A 66 2.017 1.704 -13.706 1.00 0.00 O ATOM 198 NE2 GLN A 66 3.093 3.637 -14.168 1.00 0.00 N ATOM 0 H GLN A 66 6.088 2.416 -9.908 1.00 0.00 H new ATOM 0 HA GLN A 66 4.474 3.973 -11.713 1.00 0.00 H new ATOM 0 HB2 GLN A 66 4.687 1.128 -11.050 1.00 0.00 H new ATOM 0 HB3 GLN A 66 3.047 1.692 -11.306 1.00 0.00 H new ATOM 0 HG2 GLN A 66 5.169 2.474 -13.310 1.00 0.00 H new ATOM 0 HG3 GLN A 66 4.525 0.844 -13.351 1.00 0.00 H new ATOM 0 HE21 GLN A 66 3.967 4.162 -14.140 1.00 0.00 H new ATOM 0 HE22 GLN A 66 2.253 4.066 -14.555 1.00 0.00 H new ATOM 207 N ARG A 67 2.167 3.499 -10.244 1.00 0.00 N ATOM 208 CA ARG A 67 1.106 3.974 -9.413 1.00 0.00 C ATOM 209 C ARG A 67 -0.154 3.323 -9.877 1.00 0.00 C ATOM 210 O ARG A 67 -0.204 2.749 -10.966 1.00 0.00 O ATOM 211 CB ARG A 67 0.932 5.492 -9.477 1.00 0.00 C ATOM 212 CG ARG A 67 1.046 6.068 -10.891 1.00 0.00 C ATOM 213 CD ARG A 67 2.390 6.750 -11.158 1.00 0.00 C ATOM 214 NE ARG A 67 2.481 7.004 -12.627 1.00 0.00 N ATOM 215 CZ ARG A 67 3.668 7.347 -13.199 1.00 0.00 C ATOM 216 NH1 ARG A 67 4.829 7.223 -12.522 1.00 0.00 N ATOM 217 NH2 ARG A 67 3.718 7.663 -14.512 1.00 0.00 N ATOM 0 H ARG A 67 1.867 3.077 -11.123 1.00 0.00 H new ATOM 0 HA ARG A 67 1.345 3.726 -8.379 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -0.043 5.754 -9.065 1.00 0.00 H new ATOM 0 HB3 ARG A 67 1.683 5.962 -8.842 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.902 5.266 -11.615 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.243 6.788 -11.049 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.463 7.685 -10.602 1.00 0.00 H new ATOM 0 HD3 ARG A 67 3.213 6.117 -10.827 1.00 0.00 H new ATOM 0 HE ARG A 67 1.646 6.920 -13.207 1.00 0.00 H new ATOM 0 HH11 ARG A 67 4.826 6.867 -11.566 1.00 0.00 H new ATOM 0 HH12 ARG A 67 5.709 7.485 -12.966 1.00 0.00 H new ATOM 0 HH21 ARG A 67 2.867 7.644 -15.074 1.00 0.00 H new ATOM 0 HH22 ARG A 67 4.607 7.920 -14.941 1.00 0.00 H new ATOM 231 N THR A 68 -1.191 3.399 -9.023 1.00 0.00 N ATOM 232 CA THR A 68 -2.475 2.845 -9.338 1.00 0.00 C ATOM 233 C THR A 68 -3.347 3.118 -8.154 1.00 0.00 C ATOM 234 O THR A 68 -2.857 3.541 -7.106 1.00 0.00 O ATOM 235 CB THR A 68 -2.471 1.331 -9.634 1.00 0.00 C ATOM 236 OG1 THR A 68 -3.749 0.913 -10.092 1.00 0.00 O ATOM 237 CG2 THR A 68 -2.028 0.459 -8.450 1.00 0.00 C ATOM 0 H THR A 68 -1.141 3.847 -8.108 1.00 0.00 H new ATOM 0 HA THR A 68 -2.829 3.308 -10.259 1.00 0.00 H new ATOM 0 HB THR A 68 -1.723 1.186 -10.414 1.00 0.00 H new ATOM 0 HG1 THR A 68 -3.731 -0.049 -10.278 1.00 0.00 H new ATOM 0 HG21 THR A 68 -2.053 -0.591 -8.742 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.013 0.730 -8.158 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.702 0.618 -7.609 1.00 0.00 H new ATOM 245 N VAL A 69 -4.668 2.905 -8.295 1.00 0.00 N ATOM 246 CA VAL A 69 -5.556 3.127 -7.193 1.00 0.00 C ATOM 247 C VAL A 69 -6.242 1.837 -6.904 1.00 0.00 C ATOM 248 O VAL A 69 -6.553 1.064 -7.810 1.00 0.00 O ATOM 249 CB VAL A 69 -6.599 4.229 -7.429 1.00 0.00 C ATOM 250 CG1 VAL A 69 -7.295 4.134 -8.793 1.00 0.00 C ATOM 251 CG2 VAL A 69 -7.616 4.387 -6.282 1.00 0.00 C ATOM 0 H VAL A 69 -5.116 2.585 -9.154 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.956 3.477 -6.353 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.010 5.146 -7.441 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.018 4.944 -8.890 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.552 4.214 -9.587 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.810 3.177 -8.873 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.318 5.185 -6.525 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -8.161 3.453 -6.148 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -7.089 4.636 -5.361 1.00 0.00 H new ATOM 261 N VAL A 70 -6.493 1.590 -5.608 1.00 0.00 N ATOM 262 CA VAL A 70 -7.139 0.379 -5.203 1.00 0.00 C ATOM 263 C VAL A 70 -8.193 0.750 -4.211 1.00 0.00 C ATOM 264 O VAL A 70 -8.137 1.813 -3.590 1.00 0.00 O ATOM 265 CB VAL A 70 -6.178 -0.633 -4.563 1.00 0.00 C ATOM 266 CG1 VAL A 70 -5.120 -1.158 -5.537 1.00 0.00 C ATOM 267 CG2 VAL A 70 -5.452 -0.101 -3.314 1.00 0.00 C ATOM 0 H VAL A 70 -6.252 2.222 -4.844 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.552 -0.104 -6.088 1.00 0.00 H new ATOM 0 HB VAL A 70 -6.839 -1.447 -4.265 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.473 -1.869 -5.023 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -5.611 -1.654 -6.374 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.522 -0.326 -5.908 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.792 -0.874 -2.920 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.864 0.777 -3.581 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.186 0.171 -2.555 1.00 0.00 H new ATOM 277 N ASN A 71 -9.189 -0.139 -4.043 1.00 0.00 N ATOM 278 CA ASN A 71 -10.222 0.089 -3.076 1.00 0.00 C ATOM 279 C ASN A 71 -10.037 -0.939 -2.008 1.00 0.00 C ATOM 280 O ASN A 71 -9.512 -2.020 -2.268 1.00 0.00 O ATOM 281 CB ASN A 71 -11.635 -0.114 -3.651 1.00 0.00 C ATOM 282 CG ASN A 71 -11.979 1.088 -4.523 1.00 0.00 C ATOM 283 OD1 ASN A 71 -12.756 1.955 -4.123 1.00 0.00 O ATOM 284 ND2 ASN A 71 -11.453 1.105 -5.777 1.00 0.00 N ATOM 0 H ASN A 71 -9.281 -1.008 -4.570 1.00 0.00 H new ATOM 0 HA ASN A 71 -10.145 1.118 -2.726 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -11.677 -1.032 -4.237 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -12.361 -0.217 -2.845 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -11.699 1.855 -6.423 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -10.812 0.368 -6.071 1.00 0.00 H new ATOM 291 N VAL A 72 -10.485 -0.627 -0.775 1.00 0.00 N ATOM 292 CA VAL A 72 -10.392 -1.587 0.285 1.00 0.00 C ATOM 293 C VAL A 72 -11.778 -2.105 0.545 1.00 0.00 C ATOM 294 O VAL A 72 -12.723 -1.779 -0.173 1.00 0.00 O ATOM 295 CB VAL A 72 -9.723 -1.065 1.570 1.00 0.00 C ATOM 296 CG1 VAL A 72 -10.668 -0.309 2.510 1.00 0.00 C ATOM 297 CG2 VAL A 72 -8.969 -2.147 2.361 1.00 0.00 C ATOM 0 H VAL A 72 -10.902 0.267 -0.516 1.00 0.00 H new ATOM 0 HA VAL A 72 -9.726 -2.387 -0.038 1.00 0.00 H new ATOM 0 HB VAL A 72 -8.993 -0.351 1.188 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -10.117 0.024 3.389 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -11.081 0.556 1.992 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -11.479 -0.969 2.818 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -8.525 -1.703 3.252 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -9.664 -2.933 2.655 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -8.183 -2.572 1.737 1.00 0.00 H new ATOM 307 N ARG A 73 -11.917 -2.990 1.550 1.00 0.00 N ATOM 308 CA ARG A 73 -13.198 -3.551 1.862 1.00 0.00 C ATOM 309 C ARG A 73 -13.087 -4.150 3.235 1.00 0.00 C ATOM 310 O ARG A 73 -12.364 -3.637 4.086 1.00 0.00 O ATOM 311 CB ARG A 73 -13.680 -4.596 0.835 1.00 0.00 C ATOM 312 CG ARG A 73 -15.207 -4.658 0.680 1.00 0.00 C ATOM 313 CD ARG A 73 -15.847 -3.341 0.216 1.00 0.00 C ATOM 314 NE ARG A 73 -15.103 -2.873 -0.992 1.00 0.00 N ATOM 315 CZ ARG A 73 -15.586 -1.851 -1.750 1.00 0.00 C ATOM 316 NH1 ARG A 73 -16.767 -1.271 -1.457 1.00 0.00 N ATOM 317 NH2 ARG A 73 -14.881 -1.412 -2.817 1.00 0.00 N ATOM 0 H ARG A 73 -11.152 -3.315 2.141 1.00 0.00 H new ATOM 0 HA ARG A 73 -13.951 -2.764 1.827 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -13.235 -4.371 -0.134 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -13.315 -5.579 1.133 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -15.457 -5.442 -0.035 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -15.646 -4.946 1.635 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -16.901 -3.490 -0.018 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -15.799 -2.593 1.008 1.00 0.00 H new ATOM 0 HE ARG A 73 -14.225 -3.323 -1.251 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -17.311 -1.597 -0.658 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -17.117 -0.506 -2.034 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -13.989 -1.847 -3.053 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -15.241 -0.646 -3.386 1.00 0.00 H new ATOM 331 N ASN A 74 -13.753 -5.301 3.468 1.00 0.00 N ATOM 332 CA ASN A 74 -13.852 -5.830 4.800 1.00 0.00 C ATOM 333 C ASN A 74 -12.772 -6.849 4.984 1.00 0.00 C ATOM 334 O ASN A 74 -12.570 -7.372 6.077 1.00 0.00 O ATOM 335 CB ASN A 74 -15.213 -6.483 5.084 1.00 0.00 C ATOM 336 CG ASN A 74 -15.528 -7.473 3.965 1.00 0.00 C ATOM 337 OD1 ASN A 74 -15.824 -7.082 2.836 1.00 0.00 O ATOM 338 ND2 ASN A 74 -15.436 -8.797 4.268 1.00 0.00 N ATOM 0 H ASN A 74 -14.215 -5.857 2.749 1.00 0.00 H new ATOM 0 HA ASN A 74 -13.745 -4.999 5.497 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -15.192 -6.995 6.046 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -15.991 -5.722 5.145 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -15.615 -9.498 3.549 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -15.188 -9.088 5.214 1.00 0.00 H new ATOM 345 N GLY A 75 -12.057 -7.150 3.895 1.00 0.00 N ATOM 346 CA GLY A 75 -11.098 -8.220 3.915 1.00 0.00 C ATOM 347 C GLY A 75 -10.154 -8.000 2.781 1.00 0.00 C ATOM 348 O GLY A 75 -10.239 -8.672 1.755 1.00 0.00 O ATOM 0 H GLY A 75 -12.135 -6.662 3.003 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -10.561 -8.235 4.863 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -11.597 -9.184 3.816 1.00 0.00 H new ATOM 352 N MET A 76 -9.190 -7.078 2.969 1.00 0.00 N ATOM 353 CA MET A 76 -8.242 -6.796 1.936 1.00 0.00 C ATOM 354 C MET A 76 -6.896 -6.806 2.565 1.00 0.00 C ATOM 355 O MET A 76 -5.962 -7.399 2.045 1.00 0.00 O ATOM 356 CB MET A 76 -8.459 -5.402 1.353 1.00 0.00 C ATOM 357 CG MET A 76 -9.882 -5.175 0.850 1.00 0.00 C ATOM 358 SD MET A 76 -10.213 -6.258 -0.578 1.00 0.00 S ATOM 359 CE MET A 76 -9.987 -5.062 -1.931 1.00 0.00 C ATOM 0 H MET A 76 -9.068 -6.535 3.824 1.00 0.00 H new ATOM 0 HA MET A 76 -8.347 -7.534 1.141 1.00 0.00 H new ATOM 0 HB2 MET A 76 -8.226 -4.657 2.114 1.00 0.00 H new ATOM 0 HB3 MET A 76 -7.761 -5.247 0.531 1.00 0.00 H new ATOM 0 HG2 MET A 76 -10.596 -5.381 1.647 1.00 0.00 H new ATOM 0 HG3 MET A 76 -10.014 -4.131 0.565 1.00 0.00 H new ATOM 0 HE1 MET A 76 -10.222 -5.540 -2.882 1.00 0.00 H new ATOM 0 HE2 MET A 76 -10.650 -4.211 -1.779 1.00 0.00 H new ATOM 0 HE3 MET A 76 -8.953 -4.718 -1.944 1.00 0.00 H new ATOM 369 N SER A 77 -6.737 -6.047 3.666 1.00 0.00 N ATOM 370 CA SER A 77 -5.478 -6.016 4.355 1.00 0.00 C ATOM 371 C SER A 77 -4.564 -5.114 3.601 1.00 0.00 C ATOM 372 O SER A 77 -4.984 -4.117 3.021 1.00 0.00 O ATOM 373 CB SER A 77 -4.781 -7.378 4.525 1.00 0.00 C ATOM 374 OG SER A 77 -5.706 -8.360 4.974 1.00 0.00 O ATOM 0 H SER A 77 -7.466 -5.463 4.076 1.00 0.00 H new ATOM 0 HA SER A 77 -5.697 -5.669 5.365 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.343 -7.690 3.577 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.963 -7.287 5.239 1.00 0.00 H new ATOM 0 HG SER A 77 -5.852 -9.020 4.265 1.00 0.00 H new ATOM 380 N LEU A 78 -3.256 -5.306 3.828 1.00 0.00 N ATOM 381 CA LEU A 78 -2.268 -4.700 3.004 1.00 0.00 C ATOM 382 C LEU A 78 -1.838 -5.731 2.021 1.00 0.00 C ATOM 383 O LEU A 78 -1.950 -5.539 0.825 1.00 0.00 O ATOM 384 CB LEU A 78 -1.067 -4.315 3.869 1.00 0.00 C ATOM 385 CG LEU A 78 -0.906 -2.812 4.059 1.00 0.00 C ATOM 386 CD1 LEU A 78 -0.704 -2.085 2.772 1.00 0.00 C ATOM 387 CD2 LEU A 78 -2.186 -2.102 4.468 1.00 0.00 C ATOM 0 H LEU A 78 -2.884 -5.882 4.583 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.657 -3.811 2.507 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.168 -4.787 4.846 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.160 -4.714 3.414 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.090 -2.780 4.781 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.595 -1.019 2.970 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.196 -2.457 2.282 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.565 -2.248 2.123 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.990 -1.036 4.583 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.945 -2.250 3.700 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -2.542 -2.510 5.414 1.00 0.00 H new ATOM 399 N HIS A 79 -1.457 -6.916 2.529 1.00 0.00 N ATOM 400 CA HIS A 79 -0.854 -7.931 1.711 1.00 0.00 C ATOM 401 C HIS A 79 -1.857 -8.361 0.684 1.00 0.00 C ATOM 402 O HIS A 79 -1.551 -8.395 -0.496 1.00 0.00 O ATOM 403 CB HIS A 79 -0.498 -9.179 2.534 1.00 0.00 C ATOM 404 CG HIS A 79 0.952 -9.263 2.916 1.00 0.00 C ATOM 405 ND1 HIS A 79 1.362 -9.957 4.020 1.00 0.00 N ATOM 406 CD2 HIS A 79 2.071 -8.982 2.205 1.00 0.00 C ATOM 407 CE1 HIS A 79 2.681 -10.040 4.005 1.00 0.00 C ATOM 408 NE2 HIS A 79 3.135 -9.492 2.893 1.00 0.00 N ATOM 0 H HIS A 79 -1.565 -7.176 3.509 1.00 0.00 H new ATOM 0 HA HIS A 79 0.052 -7.517 1.268 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -1.104 -9.189 3.440 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -0.765 -10.068 1.962 1.00 0.00 H new ATOM 0 HD2 HIS A 79 2.114 -8.451 1.265 1.00 0.00 H new ATOM 0 HE1 HIS A 79 3.290 -10.485 4.778 1.00 0.00 H new ATOM 0 HE2 HIS A 79 4.111 -9.456 2.599 1.00 0.00 H new ATOM 417 N ASP A 80 -3.101 -8.658 1.111 1.00 0.00 N ATOM 418 CA ASP A 80 -4.067 -9.197 0.193 1.00 0.00 C ATOM 419 C ASP A 80 -4.627 -8.059 -0.615 1.00 0.00 C ATOM 420 O ASP A 80 -5.192 -8.271 -1.684 1.00 0.00 O ATOM 421 CB ASP A 80 -5.225 -9.970 0.850 1.00 0.00 C ATOM 422 CG ASP A 80 -4.719 -10.592 2.144 1.00 0.00 C ATOM 423 OD1 ASP A 80 -3.891 -11.537 2.062 1.00 0.00 O ATOM 424 OD2 ASP A 80 -5.119 -10.099 3.235 1.00 0.00 O ATOM 0 H ASP A 80 -3.434 -8.530 2.066 1.00 0.00 H new ATOM 0 HA ASP A 80 -3.541 -9.929 -0.421 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -6.060 -9.300 1.053 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -5.594 -10.744 0.177 1.00 0.00 H new ATOM 429 N CYS A 81 -4.461 -6.813 -0.121 1.00 0.00 N ATOM 430 CA CYS A 81 -4.994 -5.674 -0.816 1.00 0.00 C ATOM 431 C CYS A 81 -3.992 -5.248 -1.863 1.00 0.00 C ATOM 432 O CYS A 81 -4.347 -4.627 -2.862 1.00 0.00 O ATOM 433 CB CYS A 81 -5.224 -4.511 0.153 1.00 0.00 C ATOM 434 SG CYS A 81 -6.316 -3.266 -0.615 1.00 0.00 S ATOM 0 H CYS A 81 -3.967 -6.596 0.744 1.00 0.00 H new ATOM 0 HA CYS A 81 -5.947 -5.942 -1.272 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -5.671 -4.879 1.076 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -4.271 -4.055 0.420 1.00 0.00 H new ATOM 0 HG CYS A 81 -6.507 -2.284 0.216 1.00 0.00 H new ATOM 440 N LEU A 82 -2.703 -5.555 -1.632 1.00 0.00 N ATOM 441 CA LEU A 82 -1.654 -5.080 -2.493 1.00 0.00 C ATOM 442 C LEU A 82 -1.283 -6.193 -3.377 1.00 0.00 C ATOM 443 O LEU A 82 -0.664 -5.996 -4.414 1.00 0.00 O ATOM 444 CB LEU A 82 -0.391 -4.817 -1.689 1.00 0.00 C ATOM 445 CG LEU A 82 -0.484 -3.584 -0.800 1.00 0.00 C ATOM 446 CD1 LEU A 82 0.659 -2.590 -1.021 1.00 0.00 C ATOM 447 CD2 LEU A 82 -1.790 -2.811 -0.966 1.00 0.00 C ATOM 0 H LEU A 82 -2.383 -6.130 -0.853 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.000 -4.184 -3.008 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.177 -5.687 -1.069 1.00 0.00 H new ATOM 0 HB3 LEU A 82 0.449 -4.699 -2.374 1.00 0.00 H new ATOM 0 HG LEU A 82 -0.427 -4.000 0.206 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.532 -1.735 -0.356 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.611 -3.077 -0.808 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.650 -2.249 -2.056 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -1.788 -1.946 -0.303 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.886 -2.476 -1.999 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.630 -3.458 -0.715 1.00 0.00 H new ATOM 459 N MET A 83 -1.613 -7.404 -2.923 1.00 0.00 N ATOM 460 CA MET A 83 -1.411 -8.592 -3.686 1.00 0.00 C ATOM 461 C MET A 83 -2.094 -8.405 -4.999 1.00 0.00 C ATOM 462 O MET A 83 -1.594 -8.909 -5.982 1.00 0.00 O ATOM 463 CB MET A 83 -2.099 -9.725 -2.926 1.00 0.00 C ATOM 464 CG MET A 83 -2.374 -10.949 -3.782 1.00 0.00 C ATOM 465 SD MET A 83 -2.815 -12.355 -2.713 1.00 0.00 S ATOM 466 CE MET A 83 -3.025 -13.642 -3.985 1.00 0.00 C ATOM 0 H MET A 83 -2.030 -7.566 -2.006 1.00 0.00 H new ATOM 0 HA MET A 83 -0.354 -8.810 -3.839 1.00 0.00 H new ATOM 0 HB2 MET A 83 -1.476 -10.015 -2.080 1.00 0.00 H new ATOM 0 HB3 MET A 83 -3.041 -9.358 -2.517 1.00 0.00 H new ATOM 0 HG2 MET A 83 -3.185 -10.742 -4.481 1.00 0.00 H new ATOM 0 HG3 MET A 83 -1.495 -11.194 -4.378 1.00 0.00 H new ATOM 0 HE1 MET A 83 -3.300 -14.583 -3.509 1.00 0.00 H new ATOM 0 HE2 MET A 83 -3.811 -13.343 -4.678 1.00 0.00 H new ATOM 0 HE3 MET A 83 -2.090 -13.771 -4.530 1.00 0.00 H new ATOM 476 N LYS A 84 -3.170 -7.595 -4.988 1.00 0.00 N ATOM 477 CA LYS A 84 -3.807 -7.131 -6.192 1.00 0.00 C ATOM 478 C LYS A 84 -2.802 -6.374 -6.990 1.00 0.00 C ATOM 479 O LYS A 84 -2.565 -6.677 -8.154 1.00 0.00 O ATOM 480 CB LYS A 84 -4.817 -6.031 -5.854 1.00 0.00 C ATOM 481 CG LYS A 84 -6.207 -6.560 -5.559 1.00 0.00 C ATOM 482 CD LYS A 84 -6.324 -7.228 -4.188 1.00 0.00 C ATOM 483 CE LYS A 84 -7.770 -7.501 -3.766 1.00 0.00 C ATOM 484 NZ LYS A 84 -7.793 -8.161 -2.465 1.00 0.00 N ATOM 0 H LYS A 84 -3.608 -7.255 -4.132 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.245 -7.996 -6.691 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -4.458 -5.472 -4.990 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -4.872 -5.330 -6.687 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -6.920 -5.738 -5.617 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -6.486 -7.278 -6.330 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -5.774 -8.169 -4.202 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -5.849 -6.592 -3.441 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -8.327 -6.565 -3.718 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -8.263 -8.127 -4.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -8.100 -9.148 -2.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -6.840 -8.142 -2.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -8.456 -7.665 -1.836 1.00 0.00 H new ATOM 498 N ALA A 85 -2.275 -5.314 -6.357 1.00 0.00 N ATOM 499 CA ALA A 85 -1.612 -4.242 -7.065 1.00 0.00 C ATOM 500 C ALA A 85 -0.332 -4.753 -7.648 1.00 0.00 C ATOM 501 O ALA A 85 0.259 -4.104 -8.505 1.00 0.00 O ATOM 502 CB ALA A 85 -1.218 -3.263 -5.942 1.00 0.00 C ATOM 0 H ALA A 85 -2.303 -5.189 -5.345 1.00 0.00 H new ATOM 0 HA ALA A 85 -2.233 -3.816 -7.853 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -0.703 -2.404 -6.372 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.115 -2.926 -5.422 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -0.557 -3.766 -5.236 1.00 0.00 H new ATOM 508 N LEU A 86 0.154 -5.891 -7.136 1.00 0.00 N ATOM 509 CA LEU A 86 1.436 -6.396 -7.527 1.00 0.00 C ATOM 510 C LEU A 86 1.188 -7.629 -8.280 1.00 0.00 C ATOM 511 O LEU A 86 2.054 -8.115 -8.986 1.00 0.00 O ATOM 512 CB LEU A 86 2.156 -6.798 -6.261 1.00 0.00 C ATOM 513 CG LEU A 86 2.304 -5.627 -5.298 1.00 0.00 C ATOM 514 CD1 LEU A 86 2.199 -6.026 -3.866 1.00 0.00 C ATOM 515 CD2 LEU A 86 3.371 -4.631 -5.721 1.00 0.00 C ATOM 0 H LEU A 86 -0.337 -6.465 -6.451 1.00 0.00 H new ATOM 0 HA LEU A 86 2.004 -5.667 -8.104 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.609 -7.604 -5.772 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.142 -7.189 -6.512 1.00 0.00 H new ATOM 0 HG LEU A 86 1.419 -4.996 -5.381 1.00 0.00 H new ATOM 0 HD11 LEU A 86 2.313 -5.146 -3.234 1.00 0.00 H new ATOM 0 HD12 LEU A 86 1.224 -6.479 -3.685 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.983 -6.746 -3.630 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.424 -3.823 -4.992 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.337 -5.134 -5.776 1.00 0.00 H new ATOM 0 HD23 LEU A 86 3.119 -4.221 -6.699 1.00 0.00 H new ATOM 527 N LYS A 87 -0.009 -8.185 -8.068 1.00 0.00 N ATOM 528 CA LYS A 87 -0.460 -9.311 -8.841 1.00 0.00 C ATOM 529 C LYS A 87 -0.464 -8.906 -10.283 1.00 0.00 C ATOM 530 O LYS A 87 -0.008 -9.656 -11.145 1.00 0.00 O ATOM 531 CB LYS A 87 -1.925 -9.638 -8.552 1.00 0.00 C ATOM 532 CG LYS A 87 -2.164 -11.097 -8.200 1.00 0.00 C ATOM 533 CD LYS A 87 -2.602 -11.935 -9.405 1.00 0.00 C ATOM 534 CE LYS A 87 -1.601 -13.029 -9.791 1.00 0.00 C ATOM 535 NZ LYS A 87 -0.330 -12.428 -10.193 1.00 0.00 N ATOM 0 H LYS A 87 -0.672 -7.862 -7.363 1.00 0.00 H new ATOM 0 HA LYS A 87 0.190 -10.153 -8.604 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -2.273 -9.013 -7.730 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -2.525 -9.380 -9.425 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -1.250 -11.520 -7.782 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -2.927 -11.158 -7.424 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -3.564 -12.397 -9.185 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -2.753 -11.275 -10.259 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -1.443 -13.702 -8.948 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -2.003 -13.629 -10.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 0.128 -13.029 -10.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -0.504 -11.484 -10.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 0.291 -12.342 -9.363 1.00 0.00 H new ATOM 549 N VAL A 88 -1.070 -7.732 -10.547 1.00 0.00 N ATOM 550 CA VAL A 88 -1.227 -7.232 -11.889 1.00 0.00 C ATOM 551 C VAL A 88 0.145 -7.019 -12.472 1.00 0.00 C ATOM 552 O VAL A 88 0.344 -7.122 -13.681 1.00 0.00 O ATOM 553 CB VAL A 88 -2.011 -5.904 -11.913 1.00 0.00 C ATOM 554 CG1 VAL A 88 -2.061 -5.191 -10.564 1.00 0.00 C ATOM 555 CG2 VAL A 88 -1.523 -4.853 -12.920 1.00 0.00 C ATOM 0 H VAL A 88 -1.456 -7.121 -9.827 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.793 -7.957 -12.474 1.00 0.00 H new ATOM 0 HB VAL A 88 -2.995 -6.264 -12.215 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.629 -4.266 -10.662 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -2.542 -5.836 -9.829 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.047 -4.961 -10.236 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.148 -3.963 -12.848 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.489 -4.590 -12.699 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.586 -5.260 -13.929 1.00 0.00 H new ATOM 565 N ARG A 89 1.120 -6.731 -11.597 1.00 0.00 N ATOM 566 CA ARG A 89 2.448 -6.408 -12.032 1.00 0.00 C ATOM 567 C ARG A 89 3.187 -7.697 -12.236 1.00 0.00 C ATOM 568 O ARG A 89 3.899 -7.868 -13.222 1.00 0.00 O ATOM 569 CB ARG A 89 3.196 -5.602 -10.963 1.00 0.00 C ATOM 570 CG ARG A 89 2.406 -4.402 -10.443 1.00 0.00 C ATOM 571 CD ARG A 89 2.400 -3.206 -11.399 1.00 0.00 C ATOM 572 NE ARG A 89 1.538 -2.153 -10.786 1.00 0.00 N ATOM 573 CZ ARG A 89 1.390 -0.943 -11.389 1.00 0.00 C ATOM 574 NH1 ARG A 89 2.030 -0.668 -12.542 1.00 0.00 N ATOM 575 NH2 ARG A 89 0.587 -0.008 -10.835 1.00 0.00 N ATOM 0 H ARG A 89 0.993 -6.721 -10.585 1.00 0.00 H new ATOM 0 HA ARG A 89 2.390 -5.817 -12.946 1.00 0.00 H new ATOM 0 HB2 ARG A 89 3.438 -6.258 -10.127 1.00 0.00 H new ATOM 0 HB3 ARG A 89 4.142 -5.253 -11.378 1.00 0.00 H new ATOM 0 HG2 ARG A 89 1.378 -4.710 -10.254 1.00 0.00 H new ATOM 0 HG3 ARG A 89 2.826 -4.089 -9.487 1.00 0.00 H new ATOM 0 HD2 ARG A 89 3.412 -2.832 -11.553 1.00 0.00 H new ATOM 0 HD3 ARG A 89 2.015 -3.497 -12.376 1.00 0.00 H new ATOM 0 HE ARG A 89 1.056 -2.342 -9.907 1.00 0.00 H new ATOM 0 HH11 ARG A 89 2.632 -1.370 -12.971 1.00 0.00 H new ATOM 0 HH12 ARG A 89 1.912 0.243 -12.986 1.00 0.00 H new ATOM 0 HH21 ARG A 89 0.093 -0.210 -9.966 1.00 0.00 H new ATOM 0 HH22 ARG A 89 0.475 0.900 -11.286 1.00 0.00 H new ATOM 589 N GLY A 90 3.052 -8.615 -11.261 1.00 0.00 N ATOM 590 CA GLY A 90 3.788 -9.847 -11.290 1.00 0.00 C ATOM 591 C GLY A 90 4.862 -9.735 -10.256 1.00 0.00 C ATOM 592 O GLY A 90 5.953 -10.281 -10.419 1.00 0.00 O ATOM 0 H GLY A 90 2.437 -8.507 -10.455 1.00 0.00 H new ATOM 0 HA2 GLY A 90 3.134 -10.693 -11.078 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.218 -10.017 -12.277 1.00 0.00 H new ATOM 596 N LEU A 91 4.566 -9.011 -9.158 1.00 0.00 N ATOM 597 CA LEU A 91 5.572 -8.714 -8.180 1.00 0.00 C ATOM 598 C LEU A 91 5.226 -9.469 -6.935 1.00 0.00 C ATOM 599 O LEU A 91 4.105 -9.948 -6.768 1.00 0.00 O ATOM 600 CB LEU A 91 5.604 -7.222 -7.806 1.00 0.00 C ATOM 601 CG LEU A 91 6.258 -6.320 -8.861 1.00 0.00 C ATOM 602 CD1 LEU A 91 7.121 -5.209 -8.247 1.00 0.00 C ATOM 603 CD2 LEU A 91 7.072 -7.085 -9.908 1.00 0.00 C ATOM 0 H LEU A 91 3.641 -8.635 -8.948 1.00 0.00 H new ATOM 0 HA LEU A 91 6.541 -8.988 -8.598 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.583 -6.880 -7.635 1.00 0.00 H new ATOM 0 HB3 LEU A 91 6.140 -7.107 -6.864 1.00 0.00 H new ATOM 0 HG LEU A 91 5.413 -5.859 -9.372 1.00 0.00 H new ATOM 0 HD11 LEU A 91 7.556 -4.605 -9.043 1.00 0.00 H new ATOM 0 HD12 LEU A 91 6.502 -4.578 -7.609 1.00 0.00 H new ATOM 0 HD13 LEU A 91 7.918 -5.654 -7.652 1.00 0.00 H new ATOM 0 HD21 LEU A 91 7.503 -6.381 -10.619 1.00 0.00 H new ATOM 0 HD22 LEU A 91 7.871 -7.638 -9.415 1.00 0.00 H new ATOM 0 HD23 LEU A 91 6.422 -7.782 -10.437 1.00 0.00 H new ATOM 615 N GLN A 92 6.186 -9.519 -5.990 1.00 0.00 N ATOM 616 CA GLN A 92 5.965 -10.203 -4.751 1.00 0.00 C ATOM 617 C GLN A 92 5.835 -9.152 -3.679 1.00 0.00 C ATOM 618 O GLN A 92 6.560 -8.155 -3.665 1.00 0.00 O ATOM 619 CB GLN A 92 7.107 -11.163 -4.382 1.00 0.00 C ATOM 620 CG GLN A 92 8.506 -10.542 -4.515 1.00 0.00 C ATOM 621 CD GLN A 92 9.040 -10.843 -5.916 1.00 0.00 C ATOM 622 OE1 GLN A 92 8.388 -11.506 -6.722 1.00 0.00 O ATOM 623 NE2 GLN A 92 10.257 -10.321 -6.262 1.00 0.00 N ATOM 0 H GLN A 92 7.107 -9.090 -6.083 1.00 0.00 H new ATOM 0 HA GLN A 92 5.067 -10.813 -4.847 1.00 0.00 H new ATOM 0 HB2 GLN A 92 6.966 -11.503 -3.356 1.00 0.00 H new ATOM 0 HB3 GLN A 92 7.049 -12.045 -5.020 1.00 0.00 H new ATOM 0 HG2 GLN A 92 8.460 -9.465 -4.351 1.00 0.00 H new ATOM 0 HG3 GLN A 92 9.176 -10.951 -3.759 1.00 0.00 H new ATOM 0 HE21 GLN A 92 10.788 -9.773 -5.585 1.00 0.00 H new ATOM 0 HE22 GLN A 92 10.633 -10.480 -7.197 1.00 0.00 H new ATOM 632 N PRO A 93 4.949 -9.457 -2.741 1.00 0.00 N ATOM 633 CA PRO A 93 4.793 -8.376 -1.789 1.00 0.00 C ATOM 634 C PRO A 93 5.637 -8.778 -0.607 1.00 0.00 C ATOM 635 O PRO A 93 6.042 -7.935 0.188 1.00 0.00 O ATOM 636 CB PRO A 93 3.338 -8.405 -1.360 1.00 0.00 C ATOM 637 CG PRO A 93 2.754 -9.712 -1.886 1.00 0.00 C ATOM 638 CD PRO A 93 3.718 -10.194 -2.963 1.00 0.00 C ATOM 0 HA PRO A 93 5.070 -7.396 -2.178 1.00 0.00 H new ATOM 0 HB2 PRO A 93 3.253 -8.352 -0.275 1.00 0.00 H new ATOM 0 HB3 PRO A 93 2.798 -7.549 -1.764 1.00 0.00 H new ATOM 0 HG2 PRO A 93 2.660 -10.448 -1.087 1.00 0.00 H new ATOM 0 HG3 PRO A 93 1.756 -9.557 -2.296 1.00 0.00 H new ATOM 0 HD2 PRO A 93 3.885 -11.268 -2.888 1.00 0.00 H new ATOM 0 HD3 PRO A 93 3.320 -10.002 -3.960 1.00 0.00 H new ATOM 646 N GLU A 94 5.989 -10.076 -0.492 1.00 0.00 N ATOM 647 CA GLU A 94 6.541 -10.584 0.734 1.00 0.00 C ATOM 648 C GLU A 94 7.970 -10.124 0.847 1.00 0.00 C ATOM 649 O GLU A 94 8.564 -10.179 1.922 1.00 0.00 O ATOM 650 CB GLU A 94 6.532 -12.118 0.818 1.00 0.00 C ATOM 651 CG GLU A 94 5.122 -12.727 0.851 1.00 0.00 C ATOM 652 CD GLU A 94 4.602 -12.847 -0.580 1.00 0.00 C ATOM 653 OE1 GLU A 94 5.336 -12.464 -1.534 1.00 0.00 O ATOM 654 OE2 GLU A 94 3.435 -13.289 -0.745 1.00 0.00 O ATOM 0 H GLU A 94 5.894 -10.767 -1.237 1.00 0.00 H new ATOM 0 HA GLU A 94 5.916 -10.205 1.542 1.00 0.00 H new ATOM 0 HB2 GLU A 94 7.073 -12.523 -0.037 1.00 0.00 H new ATOM 0 HB3 GLU A 94 7.073 -12.427 1.713 1.00 0.00 H new ATOM 0 HG2 GLU A 94 5.146 -13.707 1.327 1.00 0.00 H new ATOM 0 HG3 GLU A 94 4.455 -12.101 1.443 1.00 0.00 H new ATOM 661 N CYS A 95 8.557 -9.645 -0.266 1.00 0.00 N ATOM 662 CA CYS A 95 9.938 -9.256 -0.247 1.00 0.00 C ATOM 663 C CYS A 95 9.990 -7.756 -0.226 1.00 0.00 C ATOM 664 O CYS A 95 11.060 -7.154 -0.334 1.00 0.00 O ATOM 665 CB CYS A 95 10.691 -9.724 -1.497 1.00 0.00 C ATOM 666 SG CYS A 95 10.889 -11.535 -1.448 1.00 0.00 S ATOM 0 H CYS A 95 8.088 -9.528 -1.164 1.00 0.00 H new ATOM 0 HA CYS A 95 10.406 -9.709 0.627 1.00 0.00 H new ATOM 0 HB2 CYS A 95 10.145 -9.432 -2.394 1.00 0.00 H new ATOM 0 HB3 CYS A 95 11.668 -9.242 -1.547 1.00 0.00 H new ATOM 0 HG CYS A 95 11.526 -11.931 -2.510 1.00 0.00 H new ATOM 672 N CYS A 96 8.824 -7.105 -0.048 1.00 0.00 N ATOM 673 CA CYS A 96 8.773 -5.679 -0.151 1.00 0.00 C ATOM 674 C CYS A 96 8.255 -5.145 1.150 1.00 0.00 C ATOM 675 O CYS A 96 7.759 -5.891 1.993 1.00 0.00 O ATOM 676 CB CYS A 96 7.811 -5.227 -1.255 1.00 0.00 C ATOM 677 SG CYS A 96 8.445 -5.754 -2.881 1.00 0.00 S ATOM 0 H CYS A 96 7.934 -7.556 0.163 1.00 0.00 H new ATOM 0 HA CYS A 96 9.772 -5.311 -0.385 1.00 0.00 H new ATOM 0 HB2 CYS A 96 6.822 -5.653 -1.085 1.00 0.00 H new ATOM 0 HB3 CYS A 96 7.700 -4.143 -1.232 1.00 0.00 H new ATOM 0 HG CYS A 96 7.727 -6.742 -3.327 1.00 0.00 H new ATOM 683 N ALA A 97 8.361 -3.813 1.319 1.00 0.00 N ATOM 684 CA ALA A 97 7.784 -3.155 2.454 1.00 0.00 C ATOM 685 C ALA A 97 6.885 -2.094 1.914 1.00 0.00 C ATOM 686 O ALA A 97 7.258 -1.346 1.017 1.00 0.00 O ATOM 687 CB ALA A 97 8.806 -2.463 3.372 1.00 0.00 C ATOM 0 H ALA A 97 8.845 -3.192 0.671 1.00 0.00 H new ATOM 0 HA ALA A 97 7.283 -3.913 3.056 1.00 0.00 H new ATOM 0 HB1 ALA A 97 8.285 -1.990 4.205 1.00 0.00 H new ATOM 0 HB2 ALA A 97 9.509 -3.202 3.756 1.00 0.00 H new ATOM 0 HB3 ALA A 97 9.349 -1.705 2.807 1.00 0.00 H new ATOM 693 N VAL A 98 5.667 -2.002 2.470 1.00 0.00 N ATOM 694 CA VAL A 98 4.721 -1.039 1.996 1.00 0.00 C ATOM 695 C VAL A 98 4.694 0.081 2.990 1.00 0.00 C ATOM 696 O VAL A 98 4.990 -0.099 4.173 1.00 0.00 O ATOM 697 CB VAL A 98 3.318 -1.638 1.860 1.00 0.00 C ATOM 698 CG1 VAL A 98 2.921 -2.505 3.051 1.00 0.00 C ATOM 699 CG2 VAL A 98 2.225 -0.609 1.575 1.00 0.00 C ATOM 0 H VAL A 98 5.337 -2.586 3.239 1.00 0.00 H new ATOM 0 HA VAL A 98 5.019 -0.693 1.006 1.00 0.00 H new ATOM 0 HB VAL A 98 3.395 -2.277 0.980 1.00 0.00 H new ATOM 0 HG11 VAL A 98 1.917 -2.900 2.895 1.00 0.00 H new ATOM 0 HG12 VAL A 98 3.625 -3.331 3.150 1.00 0.00 H new ATOM 0 HG13 VAL A 98 2.937 -1.904 3.960 1.00 0.00 H new ATOM 0 HG21 VAL A 98 1.262 -1.114 1.493 1.00 0.00 H new ATOM 0 HG22 VAL A 98 2.186 0.116 2.388 1.00 0.00 H new ATOM 0 HG23 VAL A 98 2.445 -0.094 0.640 1.00 0.00 H new ATOM 709 N PHE A 99 4.308 1.276 2.510 1.00 0.00 N ATOM 710 CA PHE A 99 4.403 2.457 3.309 1.00 0.00 C ATOM 711 C PHE A 99 3.261 3.338 2.931 1.00 0.00 C ATOM 712 O PHE A 99 2.624 3.147 1.895 1.00 0.00 O ATOM 713 CB PHE A 99 5.646 3.294 2.972 1.00 0.00 C ATOM 714 CG PHE A 99 6.845 2.594 3.512 1.00 0.00 C ATOM 715 CD1 PHE A 99 7.458 1.582 2.790 1.00 0.00 C ATOM 716 CD2 PHE A 99 7.504 3.047 4.665 1.00 0.00 C ATOM 717 CE1 PHE A 99 8.779 1.264 3.014 1.00 0.00 C ATOM 718 CE2 PHE A 99 8.793 2.664 4.935 1.00 0.00 C ATOM 719 CZ PHE A 99 9.467 1.878 4.034 1.00 0.00 C ATOM 0 H PHE A 99 3.932 1.424 1.574 1.00 0.00 H new ATOM 0 HA PHE A 99 4.426 2.144 4.353 1.00 0.00 H new ATOM 0 HB2 PHE A 99 5.736 3.422 1.893 1.00 0.00 H new ATOM 0 HB3 PHE A 99 5.561 4.290 3.406 1.00 0.00 H new ATOM 0 HD1 PHE A 99 6.895 1.038 2.046 1.00 0.00 H new ATOM 0 HD2 PHE A 99 6.989 3.706 5.349 1.00 0.00 H new ATOM 0 HE1 PHE A 99 9.273 0.534 2.390 1.00 0.00 H new ATOM 0 HE2 PHE A 99 9.274 2.978 5.849 1.00 0.00 H new ATOM 0 HZ PHE A 99 10.534 1.742 4.126 1.00 0.00 H new ATOM 729 N ARG A 100 3.058 4.390 3.739 1.00 0.00 N ATOM 730 CA ARG A 100 2.243 5.484 3.332 1.00 0.00 C ATOM 731 C ARG A 100 3.174 6.636 3.122 1.00 0.00 C ATOM 732 O ARG A 100 4.230 6.719 3.750 1.00 0.00 O ATOM 733 CB ARG A 100 1.140 5.743 4.348 1.00 0.00 C ATOM 734 CG ARG A 100 0.908 7.211 4.694 1.00 0.00 C ATOM 735 CD ARG A 100 0.163 7.371 6.016 1.00 0.00 C ATOM 736 NE ARG A 100 -0.776 8.524 5.896 1.00 0.00 N ATOM 737 CZ ARG A 100 -0.380 9.794 6.178 1.00 0.00 C ATOM 738 NH1 ARG A 100 0.863 10.047 6.626 1.00 0.00 N ATOM 739 NH2 ARG A 100 -1.265 10.808 6.058 1.00 0.00 N ATOM 0 H ARG A 100 3.458 4.482 4.673 1.00 0.00 H new ATOM 0 HA ARG A 100 1.706 5.288 2.404 1.00 0.00 H new ATOM 0 HB2 ARG A 100 0.209 5.325 3.965 1.00 0.00 H new ATOM 0 HB3 ARG A 100 1.378 5.203 5.265 1.00 0.00 H new ATOM 0 HG2 ARG A 100 1.867 7.726 4.752 1.00 0.00 H new ATOM 0 HG3 ARG A 100 0.338 7.687 3.896 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -0.385 6.460 6.254 1.00 0.00 H new ATOM 0 HD3 ARG A 100 0.868 7.540 6.830 1.00 0.00 H new ATOM 0 HE ARG A 100 -1.736 8.356 5.596 1.00 0.00 H new ATOM 0 HH11 ARG A 100 1.523 9.281 6.758 1.00 0.00 H new ATOM 0 HH12 ARG A 100 1.145 11.005 6.833 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -2.221 10.618 5.758 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -0.977 11.764 6.267 1.00 0.00 H new ATOM 753 N LEU A 101 2.825 7.522 2.178 1.00 0.00 N ATOM 754 CA LEU A 101 3.776 8.462 1.661 1.00 0.00 C ATOM 755 C LEU A 101 3.904 9.590 2.638 1.00 0.00 C ATOM 756 O LEU A 101 3.257 9.626 3.686 1.00 0.00 O ATOM 757 CB LEU A 101 3.299 9.066 0.328 1.00 0.00 C ATOM 758 CG LEU A 101 3.381 8.090 -0.847 1.00 0.00 C ATOM 759 CD1 LEU A 101 3.031 8.732 -2.194 1.00 0.00 C ATOM 760 CD2 LEU A 101 4.729 7.378 -0.939 1.00 0.00 C ATOM 0 H LEU A 101 1.892 7.592 1.772 1.00 0.00 H new ATOM 0 HA LEU A 101 4.721 7.941 1.505 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.268 9.403 0.439 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.900 9.947 0.101 1.00 0.00 H new ATOM 0 HG LEU A 101 2.619 7.341 -0.630 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.109 7.985 -2.984 1.00 0.00 H new ATOM 0 HD12 LEU A 101 2.012 9.118 -2.159 1.00 0.00 H new ATOM 0 HD13 LEU A 101 3.722 9.550 -2.398 1.00 0.00 H new ATOM 0 HD21 LEU A 101 4.725 6.700 -1.792 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.522 8.115 -1.066 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.904 6.810 -0.025 1.00 0.00 H new ATOM 772 N LEU A 102 4.745 10.576 2.271 1.00 0.00 N ATOM 773 CA LEU A 102 5.048 11.661 3.149 1.00 0.00 C ATOM 774 C LEU A 102 4.030 12.736 2.920 1.00 0.00 C ATOM 775 O LEU A 102 4.264 13.707 2.205 1.00 0.00 O ATOM 776 CB LEU A 102 6.462 12.207 2.929 1.00 0.00 C ATOM 777 CG LEU A 102 7.046 11.877 1.551 1.00 0.00 C ATOM 778 CD1 LEU A 102 6.212 12.444 0.403 1.00 0.00 C ATOM 779 CD2 LEU A 102 8.510 12.298 1.401 1.00 0.00 C ATOM 0 H LEU A 102 5.214 10.620 1.366 1.00 0.00 H new ATOM 0 HA LEU A 102 5.012 11.306 4.179 1.00 0.00 H new ATOM 0 HB2 LEU A 102 6.447 13.289 3.057 1.00 0.00 H new ATOM 0 HB3 LEU A 102 7.121 11.804 3.698 1.00 0.00 H new ATOM 0 HG LEU A 102 7.009 10.789 1.488 1.00 0.00 H new ATOM 0 HD11 LEU A 102 6.674 12.179 -0.548 1.00 0.00 H new ATOM 0 HD12 LEU A 102 5.205 12.029 0.445 1.00 0.00 H new ATOM 0 HD13 LEU A 102 6.161 13.529 0.491 1.00 0.00 H new ATOM 0 HD21 LEU A 102 8.863 12.037 0.404 1.00 0.00 H new ATOM 0 HD22 LEU A 102 8.596 13.375 1.546 1.00 0.00 H new ATOM 0 HD23 LEU A 102 9.115 11.783 2.147 1.00 0.00 H new ATOM 791 N HIS A 103 2.873 12.618 3.598 1.00 0.00 N ATOM 792 CA HIS A 103 1.862 13.626 3.488 1.00 0.00 C ATOM 793 C HIS A 103 2.065 14.590 4.622 1.00 0.00 C ATOM 794 O HIS A 103 1.475 15.669 4.649 1.00 0.00 O ATOM 795 CB HIS A 103 0.435 13.057 3.546 1.00 0.00 C ATOM 796 CG HIS A 103 0.036 12.342 2.288 1.00 0.00 C ATOM 797 ND1 HIS A 103 -1.123 11.616 2.192 1.00 0.00 N ATOM 798 CD2 HIS A 103 0.544 12.421 1.035 1.00 0.00 C ATOM 799 CE1 HIS A 103 -1.308 11.273 0.929 1.00 0.00 C ATOM 800 NE2 HIS A 103 -0.309 11.744 0.206 1.00 0.00 N ATOM 0 H HIS A 103 2.639 11.838 4.213 1.00 0.00 H new ATOM 0 HA HIS A 103 1.959 14.109 2.516 1.00 0.00 H new ATOM 0 HB2 HIS A 103 0.358 12.369 4.388 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -0.267 13.870 3.733 1.00 0.00 H new ATOM 0 HD2 HIS A 103 1.454 12.925 0.744 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -2.141 10.700 0.550 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -0.193 11.624 -0.800 1.00 0.00 H new ATOM 809 N GLU A 104 2.927 14.219 5.592 1.00 0.00 N ATOM 810 CA GLU A 104 3.213 15.099 6.690 1.00 0.00 C ATOM 811 C GLU A 104 4.647 14.880 7.078 1.00 0.00 C ATOM 812 O GLU A 104 5.010 14.972 8.251 1.00 0.00 O ATOM 813 CB GLU A 104 2.355 14.845 7.945 1.00 0.00 C ATOM 814 CG GLU A 104 0.844 14.809 7.673 1.00 0.00 C ATOM 815 CD GLU A 104 0.464 13.408 7.200 1.00 0.00 C ATOM 816 OE1 GLU A 104 1.308 12.475 7.302 1.00 0.00 O ATOM 817 OE2 GLU A 104 -0.681 13.232 6.703 1.00 0.00 O ATOM 0 H GLU A 104 3.419 13.326 5.618 1.00 0.00 H new ATOM 0 HA GLU A 104 2.995 16.112 6.352 1.00 0.00 H new ATOM 0 HB2 GLU A 104 2.656 13.898 8.392 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.563 15.624 8.678 1.00 0.00 H new ATOM 0 HG2 GLU A 104 0.291 15.065 8.577 1.00 0.00 H new ATOM 0 HG3 GLU A 104 0.579 15.548 6.917 1.00 0.00 H new ATOM 824 N HIS A 105 5.506 14.541 6.096 1.00 0.00 N ATOM 825 CA HIS A 105 6.895 14.329 6.395 1.00 0.00 C ATOM 826 C HIS A 105 7.684 14.966 5.293 1.00 0.00 C ATOM 827 O HIS A 105 7.120 15.430 4.303 1.00 0.00 O ATOM 828 CB HIS A 105 7.311 12.851 6.528 1.00 0.00 C ATOM 829 CG HIS A 105 6.179 11.940 6.906 1.00 0.00 C ATOM 830 ND1 HIS A 105 5.475 12.086 8.071 1.00 0.00 N ATOM 831 CD2 HIS A 105 5.740 10.806 6.323 1.00 0.00 C ATOM 832 CE1 HIS A 105 4.605 11.093 8.163 1.00 0.00 C ATOM 833 NE2 HIS A 105 4.746 10.300 7.113 1.00 0.00 N ATOM 0 H HIS A 105 5.249 14.416 5.117 1.00 0.00 H new ATOM 0 HA HIS A 105 7.089 14.769 7.373 1.00 0.00 H new ATOM 0 HB2 HIS A 105 7.736 12.515 5.582 1.00 0.00 H new ATOM 0 HB3 HIS A 105 8.098 12.770 7.278 1.00 0.00 H new ATOM 0 HD1 HIS A 105 5.600 12.834 8.753 1.00 0.00 H new ATOM 0 HD2 HIS A 105 6.106 10.377 5.402 1.00 0.00 H new ATOM 0 HE1 HIS A 105 3.895 10.953 8.965 1.00 0.00 H new ATOM 842 N LYS A 106 9.025 14.980 5.436 1.00 0.00 N ATOM 843 CA LYS A 106 9.846 15.693 4.502 1.00 0.00 C ATOM 844 C LYS A 106 10.492 14.693 3.603 1.00 0.00 C ATOM 845 O LYS A 106 10.548 14.873 2.390 1.00 0.00 O ATOM 846 CB LYS A 106 10.946 16.498 5.203 1.00 0.00 C ATOM 847 CG LYS A 106 10.420 17.719 5.966 1.00 0.00 C ATOM 848 CD LYS A 106 9.966 18.863 5.054 1.00 0.00 C ATOM 849 CE LYS A 106 9.388 20.058 5.818 1.00 0.00 C ATOM 850 NZ LYS A 106 8.968 21.094 4.879 1.00 0.00 N ATOM 0 H LYS A 106 9.533 14.507 6.184 1.00 0.00 H new ATOM 0 HA LYS A 106 9.217 16.392 3.951 1.00 0.00 H new ATOM 0 HB2 LYS A 106 11.475 15.846 5.898 1.00 0.00 H new ATOM 0 HB3 LYS A 106 11.672 16.829 4.460 1.00 0.00 H new ATOM 0 HG2 LYS A 106 9.583 17.412 6.594 1.00 0.00 H new ATOM 0 HG3 LYS A 106 11.201 18.085 6.632 1.00 0.00 H new ATOM 0 HD2 LYS A 106 10.813 19.199 4.456 1.00 0.00 H new ATOM 0 HD3 LYS A 106 9.215 18.488 4.359 1.00 0.00 H new ATOM 0 HE2 LYS A 106 8.540 19.738 6.423 1.00 0.00 H new ATOM 0 HE3 LYS A 106 10.135 20.458 6.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 8.577 21.901 5.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 9.787 21.409 4.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 8.241 20.711 4.242 1.00 0.00 H new ATOM 864 N GLY A 107 11.022 13.618 4.201 1.00 0.00 N ATOM 865 CA GLY A 107 11.763 12.646 3.446 1.00 0.00 C ATOM 866 C GLY A 107 11.720 11.361 4.204 1.00 0.00 C ATOM 867 O GLY A 107 12.755 10.764 4.483 1.00 0.00 O ATOM 0 H GLY A 107 10.943 13.416 5.198 1.00 0.00 H new ATOM 0 HA2 GLY A 107 11.330 12.520 2.454 1.00 0.00 H new ATOM 0 HA3 GLY A 107 12.793 12.974 3.305 1.00 0.00 H new ATOM 871 N LYS A 108 10.498 10.894 4.519 1.00 0.00 N ATOM 872 CA LYS A 108 10.341 9.651 5.201 1.00 0.00 C ATOM 873 C LYS A 108 8.975 9.170 4.875 1.00 0.00 C ATOM 874 O LYS A 108 8.026 9.946 4.844 1.00 0.00 O ATOM 875 CB LYS A 108 10.433 9.776 6.719 1.00 0.00 C ATOM 876 CG LYS A 108 11.867 9.954 7.214 1.00 0.00 C ATOM 877 CD LYS A 108 12.161 9.199 8.512 1.00 0.00 C ATOM 878 CE LYS A 108 11.415 9.757 9.730 1.00 0.00 C ATOM 879 NZ LYS A 108 11.936 11.076 10.075 1.00 0.00 N ATOM 0 H LYS A 108 9.625 11.375 4.302 1.00 0.00 H new ATOM 0 HA LYS A 108 11.140 8.981 4.884 1.00 0.00 H new ATOM 0 HB2 LYS A 108 9.833 10.625 7.046 1.00 0.00 H new ATOM 0 HB3 LYS A 108 10.003 8.886 7.179 1.00 0.00 H new ATOM 0 HG2 LYS A 108 12.555 9.613 6.441 1.00 0.00 H new ATOM 0 HG3 LYS A 108 12.061 11.015 7.368 1.00 0.00 H new ATOM 0 HD2 LYS A 108 11.893 8.151 8.381 1.00 0.00 H new ATOM 0 HD3 LYS A 108 13.233 9.232 8.707 1.00 0.00 H new ATOM 0 HE2 LYS A 108 10.349 9.823 9.514 1.00 0.00 H new ATOM 0 HE3 LYS A 108 11.527 9.080 10.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 11.575 11.358 11.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 12.975 11.043 10.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 11.629 11.768 9.362 1.00 0.00 H new ATOM 893 N LYS A 109 8.864 7.871 4.569 1.00 0.00 N ATOM 894 CA LYS A 109 7.587 7.288 4.327 1.00 0.00 C ATOM 895 C LYS A 109 7.197 6.605 5.591 1.00 0.00 C ATOM 896 O LYS A 109 8.043 6.095 6.325 1.00 0.00 O ATOM 897 CB LYS A 109 7.681 6.255 3.200 1.00 0.00 C ATOM 898 CG LYS A 109 7.501 6.819 1.794 1.00 0.00 C ATOM 899 CD LYS A 109 7.040 5.760 0.795 1.00 0.00 C ATOM 900 CE LYS A 109 7.999 4.569 0.687 1.00 0.00 C ATOM 901 NZ LYS A 109 9.185 4.950 -0.075 1.00 0.00 N ATOM 0 H LYS A 109 9.651 7.228 4.489 1.00 0.00 H new ATOM 0 HA LYS A 109 6.860 8.044 4.031 1.00 0.00 H new ATOM 0 HB2 LYS A 109 8.653 5.764 3.257 1.00 0.00 H new ATOM 0 HB3 LYS A 109 6.926 5.487 3.367 1.00 0.00 H new ATOM 0 HG2 LYS A 109 6.773 7.630 1.821 1.00 0.00 H new ATOM 0 HG3 LYS A 109 8.444 7.248 1.455 1.00 0.00 H new ATOM 0 HD2 LYS A 109 6.055 5.398 1.088 1.00 0.00 H new ATOM 0 HD3 LYS A 109 6.931 6.220 -0.187 1.00 0.00 H new ATOM 0 HE2 LYS A 109 8.289 4.233 1.683 1.00 0.00 H new ATOM 0 HE3 LYS A 109 7.498 3.731 0.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 9.773 4.109 -0.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 8.895 5.360 -0.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 9.732 5.652 0.463 1.00 0.00 H new ATOM 915 N ALA A 110 5.890 6.620 5.895 1.00 0.00 N ATOM 916 CA ALA A 110 5.419 6.031 7.115 1.00 0.00 C ATOM 917 C ALA A 110 5.203 4.585 6.842 1.00 0.00 C ATOM 918 O ALA A 110 4.431 4.214 5.964 1.00 0.00 O ATOM 919 CB ALA A 110 4.134 6.595 7.719 1.00 0.00 C ATOM 0 H ALA A 110 5.165 7.033 5.308 1.00 0.00 H new ATOM 0 HA ALA A 110 6.184 6.255 7.858 1.00 0.00 H new ATOM 0 HB1 ALA A 110 3.897 6.057 8.637 1.00 0.00 H new ATOM 0 HB2 ALA A 110 4.271 7.653 7.944 1.00 0.00 H new ATOM 0 HB3 ALA A 110 3.316 6.478 7.008 1.00 0.00 H new ATOM 925 N ARG A 111 5.914 3.720 7.584 1.00 0.00 N ATOM 926 CA ARG A 111 5.960 2.347 7.222 1.00 0.00 C ATOM 927 C ARG A 111 4.825 1.677 7.902 1.00 0.00 C ATOM 928 O ARG A 111 4.443 2.037 9.016 1.00 0.00 O ATOM 929 CB ARG A 111 7.272 1.770 7.713 1.00 0.00 C ATOM 930 CG ARG A 111 7.536 0.344 7.246 1.00 0.00 C ATOM 931 CD ARG A 111 7.241 -0.680 8.337 1.00 0.00 C ATOM 932 NE ARG A 111 8.055 -1.900 8.050 1.00 0.00 N ATOM 933 CZ ARG A 111 7.688 -2.771 7.068 1.00 0.00 C ATOM 934 NH1 ARG A 111 6.464 -2.713 6.509 1.00 0.00 N ATOM 935 NH2 ARG A 111 8.489 -3.815 6.756 1.00 0.00 N ATOM 0 H ARG A 111 6.446 3.968 8.418 1.00 0.00 H new ATOM 0 HA ARG A 111 5.889 2.208 6.143 1.00 0.00 H new ATOM 0 HB2 ARG A 111 8.087 2.409 7.374 1.00 0.00 H new ATOM 0 HB3 ARG A 111 7.281 1.792 8.803 1.00 0.00 H new ATOM 0 HG2 ARG A 111 6.921 0.129 6.372 1.00 0.00 H new ATOM 0 HG3 ARG A 111 8.576 0.252 6.934 1.00 0.00 H new ATOM 0 HD2 ARG A 111 7.491 -0.276 9.318 1.00 0.00 H new ATOM 0 HD3 ARG A 111 6.179 -0.925 8.354 1.00 0.00 H new ATOM 0 HE ARG A 111 8.897 -2.083 8.596 1.00 0.00 H new ATOM 0 HH11 ARG A 111 5.794 -2.009 6.819 1.00 0.00 H new ATOM 0 HH12 ARG A 111 6.207 -3.373 5.775 1.00 0.00 H new ATOM 0 HH21 ARG A 111 9.368 -3.951 7.256 1.00 0.00 H new ATOM 0 HH22 ARG A 111 8.214 -4.467 6.021 1.00 0.00 H new ATOM 949 N LEU A 112 4.269 0.671 7.220 1.00 0.00 N ATOM 950 CA LEU A 112 3.008 0.127 7.616 1.00 0.00 C ATOM 951 C LEU A 112 3.202 -1.323 7.871 1.00 0.00 C ATOM 952 O LEU A 112 4.296 -1.863 7.729 1.00 0.00 O ATOM 953 CB LEU A 112 1.959 0.250 6.510 1.00 0.00 C ATOM 954 CG LEU A 112 1.572 1.694 6.202 1.00 0.00 C ATOM 955 CD1 LEU A 112 0.753 1.835 4.917 1.00 0.00 C ATOM 956 CD2 LEU A 112 0.903 2.413 7.380 1.00 0.00 C ATOM 0 H LEU A 112 4.685 0.233 6.398 1.00 0.00 H new ATOM 0 HA LEU A 112 2.662 0.673 8.494 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.341 -0.218 5.603 1.00 0.00 H new ATOM 0 HB3 LEU A 112 1.067 -0.303 6.802 1.00 0.00 H new ATOM 0 HG LEU A 112 2.520 2.203 6.030 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.510 2.885 4.754 1.00 0.00 H new ATOM 0 HD12 LEU A 112 1.333 1.462 4.073 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -0.168 1.259 5.007 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.655 3.434 7.090 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -0.008 1.884 7.659 1.00 0.00 H new ATOM 0 HD23 LEU A 112 1.586 2.433 8.229 1.00 0.00 H new ATOM 968 N ASP A 113 2.093 -2.001 8.204 1.00 0.00 N ATOM 969 CA ASP A 113 2.120 -3.423 8.380 1.00 0.00 C ATOM 970 C ASP A 113 1.881 -4.038 7.033 1.00 0.00 C ATOM 971 O ASP A 113 1.671 -3.329 6.051 1.00 0.00 O ATOM 972 CB ASP A 113 1.091 -3.942 9.403 1.00 0.00 C ATOM 973 CG ASP A 113 1.569 -5.286 9.933 1.00 0.00 C ATOM 974 OD1 ASP A 113 2.358 -5.290 10.912 1.00 0.00 O ATOM 975 OD2 ASP A 113 1.171 -6.319 9.327 1.00 0.00 O ATOM 0 H ASP A 113 1.180 -1.571 8.352 1.00 0.00 H new ATOM 0 HA ASP A 113 3.090 -3.704 8.789 1.00 0.00 H new ATOM 0 HB2 ASP A 113 0.979 -3.231 10.221 1.00 0.00 H new ATOM 0 HB3 ASP A 113 0.112 -4.046 8.935 1.00 0.00 H new ATOM 980 N TRP A 114 1.921 -5.385 6.969 1.00 0.00 N ATOM 981 CA TRP A 114 1.726 -6.075 5.749 1.00 0.00 C ATOM 982 C TRP A 114 0.383 -6.748 5.862 1.00 0.00 C ATOM 983 O TRP A 114 -0.094 -7.433 4.961 1.00 0.00 O ATOM 984 CB TRP A 114 2.841 -7.130 5.557 1.00 0.00 C ATOM 985 CG TRP A 114 3.676 -6.913 4.318 1.00 0.00 C ATOM 986 CD1 TRP A 114 4.970 -7.236 4.035 1.00 0.00 C ATOM 987 CD2 TRP A 114 3.131 -6.355 3.129 1.00 0.00 C ATOM 988 NE1 TRP A 114 5.267 -6.874 2.737 1.00 0.00 N ATOM 989 CE2 TRP A 114 4.138 -6.329 2.162 1.00 0.00 C ATOM 990 CE3 TRP A 114 1.847 -6.030 2.880 1.00 0.00 C ATOM 991 CZ2 TRP A 114 3.812 -5.877 0.898 1.00 0.00 C ATOM 992 CZ3 TRP A 114 1.541 -5.544 1.632 1.00 0.00 C ATOM 993 CH2 TRP A 114 2.490 -5.538 0.629 1.00 0.00 C ATOM 0 H TRP A 114 2.090 -5.989 7.773 1.00 0.00 H new ATOM 0 HA TRP A 114 1.761 -5.400 4.894 1.00 0.00 H new ATOM 0 HB2 TRP A 114 3.493 -7.119 6.430 1.00 0.00 H new ATOM 0 HB3 TRP A 114 2.388 -8.120 5.510 1.00 0.00 H new ATOM 0 HD1 TRP A 114 5.658 -7.704 4.723 1.00 0.00 H new ATOM 0 HE1 TRP A 114 6.171 -6.990 2.279 1.00 0.00 H new ATOM 0 HE3 TRP A 114 1.085 -6.148 3.636 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 4.569 -5.788 0.133 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 0.550 -5.163 1.434 1.00 0.00 H new ATOM 0 HH2 TRP A 114 2.202 -5.267 -0.376 1.00 0.00 H new ATOM 1004 N ASN A 115 -0.314 -6.497 6.985 1.00 0.00 N ATOM 1005 CA ASN A 115 -1.688 -6.878 7.101 1.00 0.00 C ATOM 1006 C ASN A 115 -2.436 -5.635 7.446 1.00 0.00 C ATOM 1007 O ASN A 115 -3.501 -5.686 8.061 1.00 0.00 O ATOM 1008 CB ASN A 115 -1.887 -7.839 8.281 1.00 0.00 C ATOM 1009 CG ASN A 115 -2.932 -8.871 7.893 1.00 0.00 C ATOM 1010 OD1 ASN A 115 -2.611 -10.025 7.612 1.00 0.00 O ATOM 1011 ND2 ASN A 115 -4.214 -8.444 7.887 1.00 0.00 N ATOM 0 H ASN A 115 0.071 -6.033 7.808 1.00 0.00 H new ATOM 0 HA ASN A 115 -2.019 -7.354 6.178 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -0.946 -8.329 8.533 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -2.208 -7.290 9.166 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -4.965 -9.089 7.642 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -4.430 -7.477 8.128 1.00 0.00 H new ATOM 1018 N THR A 116 -1.871 -4.472 7.065 1.00 0.00 N ATOM 1019 CA THR A 116 -2.281 -3.241 7.665 1.00 0.00 C ATOM 1020 C THR A 116 -3.677 -2.912 7.194 1.00 0.00 C ATOM 1021 O THR A 116 -4.115 -3.309 6.116 1.00 0.00 O ATOM 1022 CB THR A 116 -1.236 -2.100 7.644 1.00 0.00 C ATOM 1023 OG1 THR A 116 -0.741 -1.873 8.955 1.00 0.00 O ATOM 1024 CG2 THR A 116 -1.776 -0.688 7.357 1.00 0.00 C ATOM 0 H THR A 116 -1.144 -4.386 6.355 1.00 0.00 H new ATOM 0 HA THR A 116 -2.335 -3.377 8.745 1.00 0.00 H new ATOM 0 HB THR A 116 -0.544 -2.448 6.877 1.00 0.00 H new ATOM 0 HG1 THR A 116 -0.638 -0.910 9.104 1.00 0.00 H new ATOM 0 HG21 THR A 116 -0.952 0.026 7.368 1.00 0.00 H new ATOM 0 HG22 THR A 116 -2.255 -0.674 6.378 1.00 0.00 H new ATOM 0 HG23 THR A 116 -2.503 -0.414 8.121 1.00 0.00 H new ATOM 1032 N ASP A 117 -4.459 -2.275 8.080 1.00 0.00 N ATOM 1033 CA ASP A 117 -5.786 -1.842 7.751 1.00 0.00 C ATOM 1034 C ASP A 117 -5.649 -0.666 6.831 1.00 0.00 C ATOM 1035 O ASP A 117 -5.585 0.467 7.292 1.00 0.00 O ATOM 1036 CB ASP A 117 -6.545 -1.416 9.023 1.00 0.00 C ATOM 1037 CG ASP A 117 -8.017 -1.242 8.682 1.00 0.00 C ATOM 1038 OD1 ASP A 117 -8.613 -2.206 8.132 1.00 0.00 O ATOM 1039 OD2 ASP A 117 -8.557 -0.139 8.954 1.00 0.00 O ATOM 0 H ASP A 117 -4.172 -2.056 9.034 1.00 0.00 H new ATOM 0 HA ASP A 117 -6.345 -2.651 7.281 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -6.425 -2.168 9.803 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -6.135 -0.484 9.412 1.00 0.00 H new ATOM 1044 N ALA A 118 -5.715 -0.949 5.511 1.00 0.00 N ATOM 1045 CA ALA A 118 -5.551 0.057 4.487 1.00 0.00 C ATOM 1046 C ALA A 118 -6.696 1.020 4.590 1.00 0.00 C ATOM 1047 O ALA A 118 -6.612 2.148 4.115 1.00 0.00 O ATOM 1048 CB ALA A 118 -5.706 -0.714 3.157 1.00 0.00 C ATOM 0 H ALA A 118 -5.884 -1.886 5.146 1.00 0.00 H new ATOM 0 HA ALA A 118 -4.605 0.592 4.568 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -5.595 -0.023 2.321 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -4.940 -1.487 3.093 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -6.692 -1.176 3.117 1.00 0.00 H new ATOM 1054 N ALA A 119 -7.745 0.619 5.331 1.00 0.00 N ATOM 1055 CA ALA A 119 -8.913 1.434 5.499 1.00 0.00 C ATOM 1056 C ALA A 119 -8.603 2.501 6.513 1.00 0.00 C ATOM 1057 O ALA A 119 -9.401 3.409 6.734 1.00 0.00 O ATOM 1058 CB ALA A 119 -9.782 0.353 6.169 1.00 0.00 C ATOM 0 H ALA A 119 -7.786 -0.276 5.818 1.00 0.00 H new ATOM 0 HA ALA A 119 -9.318 1.932 4.618 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -10.764 0.766 6.398 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -9.894 -0.495 5.493 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -9.304 0.021 7.091 1.00 0.00 H new ATOM 1064 N SER A 120 -7.396 2.457 7.115 1.00 0.00 N ATOM 1065 CA SER A 120 -7.001 3.488 8.035 1.00 0.00 C ATOM 1066 C SER A 120 -6.042 4.392 7.315 1.00 0.00 C ATOM 1067 O SER A 120 -5.713 5.472 7.801 1.00 0.00 O ATOM 1068 CB SER A 120 -6.309 2.952 9.296 1.00 0.00 C ATOM 1069 OG SER A 120 -6.058 4.013 10.210 1.00 0.00 O ATOM 0 H SER A 120 -6.704 1.722 6.969 1.00 0.00 H new ATOM 0 HA SER A 120 -7.903 4.003 8.365 1.00 0.00 H new ATOM 0 HB2 SER A 120 -6.935 2.196 9.769 1.00 0.00 H new ATOM 0 HB3 SER A 120 -5.371 2.466 9.026 1.00 0.00 H new ATOM 0 HG SER A 120 -5.941 4.851 9.715 1.00 0.00 H new ATOM 1075 N LEU A 121 -5.548 3.936 6.146 1.00 0.00 N ATOM 1076 CA LEU A 121 -4.655 4.730 5.346 1.00 0.00 C ATOM 1077 C LEU A 121 -5.454 5.212 4.202 1.00 0.00 C ATOM 1078 O LEU A 121 -4.921 5.632 3.179 1.00 0.00 O ATOM 1079 CB LEU A 121 -3.501 3.895 4.780 1.00 0.00 C ATOM 1080 CG LEU A 121 -2.699 3.173 5.862 1.00 0.00 C ATOM 1081 CD1 LEU A 121 -2.549 4.014 7.131 1.00 0.00 C ATOM 1082 CD2 LEU A 121 -3.338 1.852 6.281 1.00 0.00 C ATOM 0 H LEU A 121 -5.765 3.020 5.754 1.00 0.00 H new ATOM 0 HA LEU A 121 -4.231 5.528 5.955 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -3.900 3.160 4.081 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -2.834 4.545 4.214 1.00 0.00 H new ATOM 0 HG LEU A 121 -1.726 2.993 5.406 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -1.972 3.458 7.870 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -2.033 4.944 6.892 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -3.535 4.240 7.536 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -2.728 1.381 7.051 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -4.337 2.040 6.674 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -3.406 1.191 5.417 1.00 0.00 H new ATOM 1094 N ILE A 122 -6.775 5.129 4.386 1.00 0.00 N ATOM 1095 CA ILE A 122 -7.698 5.344 3.313 1.00 0.00 C ATOM 1096 C ILE A 122 -7.717 6.805 3.003 1.00 0.00 C ATOM 1097 O ILE A 122 -7.670 7.657 3.890 1.00 0.00 O ATOM 1098 CB ILE A 122 -9.108 4.830 3.636 1.00 0.00 C ATOM 1099 CG1 ILE A 122 -9.809 4.152 2.457 1.00 0.00 C ATOM 1100 CG2 ILE A 122 -10.056 5.866 4.267 1.00 0.00 C ATOM 1101 CD1 ILE A 122 -9.262 2.765 2.108 1.00 0.00 C ATOM 0 H ILE A 122 -7.213 4.912 5.281 1.00 0.00 H new ATOM 0 HA ILE A 122 -7.367 4.775 2.444 1.00 0.00 H new ATOM 0 HB ILE A 122 -8.901 4.078 4.397 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -10.871 4.064 2.684 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -9.723 4.794 1.581 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -11.025 5.404 4.457 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -9.633 6.221 5.207 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -10.182 6.707 3.585 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -9.816 2.358 1.262 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -8.207 2.845 1.846 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -9.374 2.103 2.967 1.00 0.00 H new ATOM 1113 N GLY A 123 -7.746 7.106 1.695 1.00 0.00 N ATOM 1114 CA GLY A 123 -7.806 8.467 1.237 1.00 0.00 C ATOM 1115 C GLY A 123 -6.413 9.021 1.261 1.00 0.00 C ATOM 1116 O GLY A 123 -6.213 10.203 1.528 1.00 0.00 O ATOM 0 H GLY A 123 -7.728 6.410 0.949 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -8.218 8.513 0.229 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -8.463 9.057 1.877 1.00 0.00 H new ATOM 1120 N GLU A 124 -5.407 8.169 0.978 1.00 0.00 N ATOM 1121 CA GLU A 124 -4.047 8.614 1.031 1.00 0.00 C ATOM 1122 C GLU A 124 -3.352 8.059 -0.174 1.00 0.00 C ATOM 1123 O GLU A 124 -3.985 7.529 -1.091 1.00 0.00 O ATOM 1124 CB GLU A 124 -3.299 8.097 2.268 1.00 0.00 C ATOM 1125 CG GLU A 124 -4.041 8.343 3.588 1.00 0.00 C ATOM 1126 CD GLU A 124 -3.646 9.715 4.123 1.00 0.00 C ATOM 1127 OE1 GLU A 124 -3.255 10.605 3.319 1.00 0.00 O ATOM 1128 OE2 GLU A 124 -3.586 9.871 5.373 1.00 0.00 O ATOM 0 H GLU A 124 -5.532 7.191 0.717 1.00 0.00 H new ATOM 0 HA GLU A 124 -4.049 9.703 1.069 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -3.124 7.027 2.154 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -2.321 8.577 2.317 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -5.118 8.295 3.430 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -3.790 7.568 4.313 1.00 0.00 H new ATOM 1135 N GLU A 125 -2.009 8.134 -0.166 1.00 0.00 N ATOM 1136 CA GLU A 125 -1.227 7.535 -1.207 1.00 0.00 C ATOM 1137 C GLU A 125 -0.269 6.606 -0.551 1.00 0.00 C ATOM 1138 O GLU A 125 0.416 6.975 0.407 1.00 0.00 O ATOM 1139 CB GLU A 125 -0.418 8.535 -2.038 1.00 0.00 C ATOM 1140 CG GLU A 125 -1.255 9.232 -3.113 1.00 0.00 C ATOM 1141 CD GLU A 125 -0.709 10.641 -3.312 1.00 0.00 C ATOM 1142 OE1 GLU A 125 -0.582 11.383 -2.298 1.00 0.00 O ATOM 1143 OE2 GLU A 125 -0.394 10.991 -4.481 1.00 0.00 O ATOM 0 H GLU A 125 -1.465 8.606 0.556 1.00 0.00 H new ATOM 0 HA GLU A 125 -1.916 7.044 -1.894 1.00 0.00 H new ATOM 0 HB2 GLU A 125 0.012 9.286 -1.375 1.00 0.00 H new ATOM 0 HB3 GLU A 125 0.414 8.015 -2.513 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -1.212 8.673 -4.048 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -2.302 9.270 -2.812 1.00 0.00 H new ATOM 1150 N LEU A 126 -0.215 5.364 -1.061 1.00 0.00 N ATOM 1151 CA LEU A 126 0.675 4.383 -0.515 1.00 0.00 C ATOM 1152 C LEU A 126 1.807 4.219 -1.474 1.00 0.00 C ATOM 1153 O LEU A 126 1.725 4.607 -2.638 1.00 0.00 O ATOM 1154 CB LEU A 126 0.070 2.981 -0.313 1.00 0.00 C ATOM 1155 CG LEU A 126 -1.005 2.905 0.777 1.00 0.00 C ATOM 1156 CD1 LEU A 126 -0.985 1.572 1.536 1.00 0.00 C ATOM 1157 CD2 LEU A 126 -0.885 4.000 1.840 1.00 0.00 C ATOM 0 H LEU A 126 -0.781 5.039 -1.845 1.00 0.00 H new ATOM 0 HA LEU A 126 0.957 4.753 0.471 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -0.362 2.646 -1.256 1.00 0.00 H new ATOM 0 HB3 LEU A 126 0.872 2.285 -0.065 1.00 0.00 H new ATOM 0 HG LEU A 126 -1.933 3.027 0.218 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -1.767 1.574 2.295 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -1.159 0.753 0.838 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -0.015 1.440 2.015 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -1.680 3.881 2.577 1.00 0.00 H new ATOM 0 HD22 LEU A 126 0.083 3.922 2.335 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -0.973 4.978 1.367 1.00 0.00 H new ATOM 1169 N GLN A 127 2.885 3.569 -1.002 1.00 0.00 N ATOM 1170 CA GLN A 127 3.965 3.208 -1.873 1.00 0.00 C ATOM 1171 C GLN A 127 4.519 1.927 -1.354 1.00 0.00 C ATOM 1172 O GLN A 127 4.365 1.604 -0.179 1.00 0.00 O ATOM 1173 CB GLN A 127 5.106 4.238 -1.908 1.00 0.00 C ATOM 1174 CG GLN A 127 6.026 4.111 -3.135 1.00 0.00 C ATOM 1175 CD GLN A 127 7.460 4.379 -2.695 1.00 0.00 C ATOM 1176 OE1 GLN A 127 7.835 5.518 -2.411 1.00 0.00 O ATOM 1177 NE2 GLN A 127 8.304 3.316 -2.678 1.00 0.00 N ATOM 0 H GLN A 127 3.011 3.295 -0.028 1.00 0.00 H new ATOM 0 HA GLN A 127 3.573 3.141 -2.888 1.00 0.00 H new ATOM 0 HB2 GLN A 127 4.678 5.240 -1.890 1.00 0.00 H new ATOM 0 HB3 GLN A 127 5.706 4.131 -1.004 1.00 0.00 H new ATOM 0 HG2 GLN A 127 5.943 3.115 -3.569 1.00 0.00 H new ATOM 0 HG3 GLN A 127 5.728 4.821 -3.907 1.00 0.00 H new ATOM 0 HE21 GLN A 127 7.959 2.387 -2.919 1.00 0.00 H new ATOM 0 HE22 GLN A 127 9.283 3.446 -2.424 1.00 0.00 H new ATOM 1186 N VAL A 128 5.173 1.157 -2.239 1.00 0.00 N ATOM 1187 CA VAL A 128 5.821 -0.047 -1.815 1.00 0.00 C ATOM 1188 C VAL A 128 7.272 0.114 -2.132 1.00 0.00 C ATOM 1189 O VAL A 128 7.636 0.764 -3.110 1.00 0.00 O ATOM 1190 CB VAL A 128 5.256 -1.305 -2.495 1.00 0.00 C ATOM 1191 CG1 VAL A 128 6.143 -2.545 -2.339 1.00 0.00 C ATOM 1192 CG2 VAL A 128 3.888 -1.725 -1.944 1.00 0.00 C ATOM 0 H VAL A 128 5.254 1.362 -3.235 1.00 0.00 H new ATOM 0 HA VAL A 128 5.651 -0.194 -0.748 1.00 0.00 H new ATOM 0 HB VAL A 128 5.193 -0.999 -3.539 1.00 0.00 H new ATOM 0 HG11 VAL A 128 5.678 -3.391 -2.845 1.00 0.00 H new ATOM 0 HG12 VAL A 128 7.121 -2.351 -2.780 1.00 0.00 H new ATOM 0 HG13 VAL A 128 6.262 -2.776 -1.281 1.00 0.00 H new ATOM 0 HG21 VAL A 128 3.545 -2.619 -2.465 1.00 0.00 H new ATOM 0 HG22 VAL A 128 3.975 -1.937 -0.878 1.00 0.00 H new ATOM 0 HG23 VAL A 128 3.171 -0.918 -2.096 1.00 0.00 H new ATOM 1202 N ASP A 129 8.135 -0.428 -1.254 1.00 0.00 N ATOM 1203 CA ASP A 129 9.551 -0.332 -1.450 1.00 0.00 C ATOM 1204 C ASP A 129 10.105 -1.700 -1.226 1.00 0.00 C ATOM 1205 O ASP A 129 9.392 -2.609 -0.814 1.00 0.00 O ATOM 1206 CB ASP A 129 10.203 0.636 -0.444 1.00 0.00 C ATOM 1207 CG ASP A 129 10.990 1.678 -1.224 1.00 0.00 C ATOM 1208 OD1 ASP A 129 11.945 1.275 -1.937 1.00 0.00 O ATOM 1209 OD2 ASP A 129 10.622 2.882 -1.134 1.00 0.00 O ATOM 0 H ASP A 129 7.856 -0.931 -0.412 1.00 0.00 H new ATOM 0 HA ASP A 129 9.758 0.046 -2.451 1.00 0.00 H new ATOM 0 HB2 ASP A 129 9.441 1.117 0.169 1.00 0.00 H new ATOM 0 HB3 ASP A 129 10.861 0.092 0.234 1.00 0.00 H new ATOM 1214 N PHE A 130 11.417 -1.878 -1.471 1.00 0.00 N ATOM 1215 CA PHE A 130 12.006 -3.176 -1.332 1.00 0.00 C ATOM 1216 C PHE A 130 12.594 -3.256 0.042 1.00 0.00 C ATOM 1217 O PHE A 130 12.959 -2.244 0.638 1.00 0.00 O ATOM 1218 CB PHE A 130 13.149 -3.420 -2.326 1.00 0.00 C ATOM 1219 CG PHE A 130 12.581 -3.378 -3.705 1.00 0.00 C ATOM 1220 CD1 PHE A 130 11.937 -4.496 -4.248 1.00 0.00 C ATOM 1221 CD2 PHE A 130 12.741 -2.262 -4.513 1.00 0.00 C ATOM 1222 CE1 PHE A 130 11.471 -4.485 -5.550 1.00 0.00 C ATOM 1223 CE2 PHE A 130 12.315 -2.271 -5.831 1.00 0.00 C ATOM 1224 CZ PHE A 130 11.666 -3.373 -6.345 1.00 0.00 C ATOM 0 H PHE A 130 12.059 -1.140 -1.760 1.00 0.00 H new ATOM 0 HA PHE A 130 11.229 -3.918 -1.517 1.00 0.00 H new ATOM 0 HB2 PHE A 130 13.923 -2.661 -2.210 1.00 0.00 H new ATOM 0 HB3 PHE A 130 13.618 -4.385 -2.137 1.00 0.00 H new ATOM 0 HD1 PHE A 130 11.802 -5.380 -3.642 1.00 0.00 H new ATOM 0 HD2 PHE A 130 13.204 -1.374 -4.109 1.00 0.00 H new ATOM 0 HE1 PHE A 130 10.954 -5.347 -5.945 1.00 0.00 H new ATOM 0 HE2 PHE A 130 12.492 -1.410 -6.459 1.00 0.00 H new ATOM 0 HZ PHE A 130 11.312 -3.367 -7.365 1.00 0.00 H new ATOM 1234 N LEU A 131 12.709 -4.492 0.569 1.00 0.00 N ATOM 1235 CA LEU A 131 13.392 -4.694 1.813 1.00 0.00 C ATOM 1236 C LEU A 131 14.805 -5.073 1.480 1.00 0.00 C ATOM 1237 O LEU A 131 15.504 -4.377 0.748 1.00 0.00 O ATOM 1238 CB LEU A 131 12.759 -5.816 2.648 1.00 0.00 C ATOM 1239 CG LEU A 131 11.407 -5.440 3.258 1.00 0.00 C ATOM 1240 CD1 LEU A 131 10.497 -6.653 3.449 1.00 0.00 C ATOM 1241 CD2 LEU A 131 11.540 -4.683 4.583 1.00 0.00 C ATOM 0 H LEU A 131 12.335 -5.339 0.141 1.00 0.00 H new ATOM 0 HA LEU A 131 13.335 -3.780 2.405 1.00 0.00 H new ATOM 0 HB2 LEU A 131 12.632 -6.697 2.019 1.00 0.00 H new ATOM 0 HB3 LEU A 131 13.445 -6.092 3.449 1.00 0.00 H new ATOM 0 HG LEU A 131 10.946 -4.770 2.532 1.00 0.00 H new ATOM 0 HD11 LEU A 131 9.551 -6.333 3.885 1.00 0.00 H new ATOM 0 HD12 LEU A 131 10.311 -7.124 2.484 1.00 0.00 H new ATOM 0 HD13 LEU A 131 10.979 -7.368 4.115 1.00 0.00 H new ATOM 0 HD21 LEU A 131 10.548 -4.444 4.967 1.00 0.00 H new ATOM 0 HD22 LEU A 131 12.068 -5.305 5.306 1.00 0.00 H new ATOM 0 HD23 LEU A 131 12.098 -3.761 4.421 1.00 0.00 H new ATOM 1253 N ASP A 132 15.261 -6.223 2.007 1.00 0.00 N ATOM 1254 CA ASP A 132 16.610 -6.658 1.776 1.00 0.00 C ATOM 1255 C ASP A 132 16.660 -7.290 0.370 1.00 0.00 C ATOM 1256 O ASP A 132 15.884 -8.254 0.125 1.00 0.00 O ATOM 1257 CB ASP A 132 17.092 -7.708 2.788 1.00 0.00 C ATOM 1258 CG ASP A 132 16.787 -7.194 4.189 1.00 0.00 C ATOM 1259 OD1 ASP A 132 15.587 -7.213 4.574 1.00 0.00 O ATOM 1260 OD2 ASP A 132 17.749 -6.780 4.886 1.00 0.00 O ATOM 1261 OXT ASP A 132 17.537 -6.875 -0.434 1.00 0.00 O ATOM 0 H ASP A 132 14.704 -6.849 2.589 1.00 0.00 H new ATOM 0 HA ASP A 132 17.261 -5.790 1.877 1.00 0.00 H new ATOM 0 HB2 ASP A 132 16.591 -8.661 2.615 1.00 0.00 H new ATOM 0 HB3 ASP A 132 18.161 -7.885 2.672 1.00 0.00 H new TER 1266 ASP A 132