USER MOD reduce.3.24.130724 H: found=0, std=0, add=959, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 957 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 118 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 120 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 83 ASN : amide:sc= -0.674 K(o=-0.32,f=-8.6!) USER MOD Set 2.2: A 103 THR OG1 : rot -177:sc= 0.356 USER MOD Set 3.1: A 20 MET CE :methyl 178:sc= -0.546 (180deg=-0.54) USER MOD Set 3.2: A 53 LYS NZ :NH3+ 153:sc= -0.112 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 130:sc= 0.0124 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -11:sc= 0.931 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0712 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.412 X(o=-0.41,f=-0.42) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.418 K(o=-0.42,f=-1.6) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 GLN : amide:sc= -1.11 X(o=-1.1,f=-1.5) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 79:sc= 0.799 USER MOD Single : A 49 GLN : amide:sc= -0.123 K(o=-0.12,f=-1.6!) USER MOD Single : A 50 ASN : amide:sc= -0.0911 K(o=-0.091,f=-0.81) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.0455 X(o=-0.045,f=0) USER MOD Single : A 65 SER OG : rot 110:sc= -0.833 USER MOD Single : A 71 GLN : amide:sc= -0.0509 K(o=-0.051,f=-2!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN :FLIP amide:sc= -3.57! C(o=-4.3!,f=-3.6!) USER MOD Single : A 78 GLN : amide:sc= -6.36! C(o=-6.4!,f=-19!) USER MOD Single : A 84 HIS : no HD1:sc= -0.669 X(o=-0.67,f=-1.2) USER MOD Single : A 85 THR OG1 : rot 21:sc= 0.992 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 ASN : amide:sc= 0 K(o=0,f=-3.2!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 HIS :FLIP no HD1:sc= -3.06 F(o=-4.5!,f=-3.1) USER MOD Single : A 94 GLN : amide:sc= -0.0468 K(o=-0.047,f=-1.5!) USER MOD Single : A 95 GLN : amide:sc= -0.854 K(o=-0.85,f=-3.1!) USER MOD Single : A 101 GLN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 102 GLN : amide:sc= -0.0159 X(o=-0.016,f=0) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 117 HIS : no HD1:sc=-0.00887 X(o=-0.0089,f=-0.0089) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 SER OG : rot -57:sc= 0.286 USER MOD Single : A 122 THR OG1 : rot 37:sc= 0.534 USER MOD Single : A 123 SER OG : rot -53:sc= 0.118 USER MOD Single : A 126 SER OG : rot -57:sc= 0.00794 USER MOD Single : A 127 SER OG : rot -4:sc= 0.00627 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.374 -16.479 -6.231 1.00 0.00 N ATOM 2 CA GLY A 1 17.006 -15.989 -7.443 1.00 0.00 C ATOM 3 C GLY A 1 16.482 -14.630 -7.861 1.00 0.00 C ATOM 4 O GLY A 1 15.296 -14.339 -7.706 1.00 0.00 O ATOM 0 H1 GLY A 1 16.039 -17.452 -6.383 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.062 -16.467 -5.451 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.567 -15.869 -5.989 1.00 0.00 H new ATOM 0 HA2 GLY A 1 18.083 -15.928 -7.288 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.840 -16.703 -8.250 1.00 0.00 H new ATOM 8 N SER A 2 17.368 -13.793 -8.393 1.00 0.00 N ATOM 9 CA SER A 2 16.989 -12.455 -8.830 1.00 0.00 C ATOM 10 C SER A 2 17.838 -12.010 -10.017 1.00 0.00 C ATOM 11 O SER A 2 19.038 -12.280 -10.072 1.00 0.00 O ATOM 12 CB SER A 2 17.140 -11.458 -7.679 1.00 0.00 C ATOM 13 OG SER A 2 18.454 -11.483 -7.151 1.00 0.00 O ATOM 0 H SER A 2 18.353 -14.019 -8.531 1.00 0.00 H new ATOM 0 HA SER A 2 15.945 -12.484 -9.142 1.00 0.00 H new ATOM 0 HB2 SER A 2 16.905 -10.453 -8.031 1.00 0.00 H new ATOM 0 HB3 SER A 2 16.424 -11.695 -6.892 1.00 0.00 H new ATOM 0 HG SER A 2 18.525 -10.836 -6.418 1.00 0.00 H new ATOM 19 N SER A 3 17.206 -11.327 -10.966 1.00 0.00 N ATOM 20 CA SER A 3 17.901 -10.848 -12.155 1.00 0.00 C ATOM 21 C SER A 3 17.122 -9.719 -12.822 1.00 0.00 C ATOM 22 O SER A 3 15.941 -9.865 -13.134 1.00 0.00 O ATOM 23 CB SER A 3 18.109 -11.994 -13.146 1.00 0.00 C ATOM 24 OG SER A 3 18.967 -12.985 -12.608 1.00 0.00 O ATOM 0 H SER A 3 16.214 -11.093 -10.935 1.00 0.00 H new ATOM 0 HA SER A 3 18.873 -10.463 -11.847 1.00 0.00 H new ATOM 0 HB2 SER A 3 17.147 -12.440 -13.398 1.00 0.00 H new ATOM 0 HB3 SER A 3 18.533 -11.606 -14.072 1.00 0.00 H new ATOM 0 HG SER A 3 19.385 -12.646 -11.789 1.00 0.00 H new ATOM 30 N GLY A 4 17.793 -8.591 -13.036 1.00 0.00 N ATOM 31 CA GLY A 4 17.148 -7.452 -13.664 1.00 0.00 C ATOM 32 C GLY A 4 17.040 -7.604 -15.168 1.00 0.00 C ATOM 33 O GLY A 4 18.045 -7.570 -15.877 1.00 0.00 O ATOM 0 H GLY A 4 18.771 -8.446 -12.786 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.151 -7.325 -13.242 1.00 0.00 H new ATOM 0 HA3 GLY A 4 17.710 -6.547 -13.433 1.00 0.00 H new ATOM 37 N SER A 5 15.815 -7.775 -15.657 1.00 0.00 N ATOM 38 CA SER A 5 15.579 -7.938 -17.086 1.00 0.00 C ATOM 39 C SER A 5 14.450 -7.028 -17.558 1.00 0.00 C ATOM 40 O SER A 5 13.649 -6.548 -16.756 1.00 0.00 O ATOM 41 CB SER A 5 15.241 -9.396 -17.405 1.00 0.00 C ATOM 42 OG SER A 5 15.027 -9.578 -18.794 1.00 0.00 O ATOM 0 H SER A 5 14.972 -7.804 -15.084 1.00 0.00 H new ATOM 0 HA SER A 5 16.491 -7.659 -17.614 1.00 0.00 H new ATOM 0 HB2 SER A 5 16.053 -10.042 -17.071 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.349 -9.695 -16.854 1.00 0.00 H new ATOM 0 HG SER A 5 14.814 -10.518 -18.972 1.00 0.00 H new ATOM 48 N SER A 6 14.393 -6.795 -18.866 1.00 0.00 N ATOM 49 CA SER A 6 13.364 -5.939 -19.446 1.00 0.00 C ATOM 50 C SER A 6 11.988 -6.586 -19.325 1.00 0.00 C ATOM 51 O SER A 6 11.832 -7.786 -19.546 1.00 0.00 O ATOM 52 CB SER A 6 13.679 -5.652 -20.915 1.00 0.00 C ATOM 53 OG SER A 6 12.668 -4.854 -21.507 1.00 0.00 O ATOM 0 H SER A 6 15.047 -7.187 -19.544 1.00 0.00 H new ATOM 0 HA SER A 6 13.353 -4.999 -18.894 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.640 -5.143 -20.991 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.772 -6.591 -21.461 1.00 0.00 H new ATOM 0 HG SER A 6 12.894 -4.683 -22.445 1.00 0.00 H new ATOM 59 N GLY A 7 10.990 -5.780 -18.974 1.00 0.00 N ATOM 60 CA GLY A 7 9.640 -6.290 -18.830 1.00 0.00 C ATOM 61 C GLY A 7 9.547 -7.404 -17.805 1.00 0.00 C ATOM 62 O GLY A 7 10.565 -7.934 -17.360 1.00 0.00 O ATOM 0 H GLY A 7 11.093 -4.783 -18.787 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.977 -5.476 -18.538 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.289 -6.657 -19.794 1.00 0.00 H new ATOM 66 N LEU A 8 8.323 -7.758 -17.429 1.00 0.00 N ATOM 67 CA LEU A 8 8.100 -8.815 -16.448 1.00 0.00 C ATOM 68 C LEU A 8 8.603 -10.157 -16.970 1.00 0.00 C ATOM 69 O LEU A 8 8.756 -10.348 -18.176 1.00 0.00 O ATOM 70 CB LEU A 8 6.613 -8.914 -16.104 1.00 0.00 C ATOM 71 CG LEU A 8 6.106 -7.947 -15.033 1.00 0.00 C ATOM 72 CD1 LEU A 8 6.995 -8.003 -13.800 1.00 0.00 C ATOM 73 CD2 LEU A 8 6.042 -6.529 -15.582 1.00 0.00 C ATOM 0 H LEU A 8 7.470 -7.329 -17.788 1.00 0.00 H new ATOM 0 HA LEU A 8 8.659 -8.564 -15.547 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.038 -8.749 -17.015 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.404 -9.932 -15.775 1.00 0.00 H new ATOM 0 HG LEU A 8 5.099 -8.250 -14.745 1.00 0.00 H new ATOM 0 HD11 LEU A 8 6.619 -7.309 -13.049 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.990 -9.014 -13.394 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.013 -7.726 -14.073 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.679 -5.855 -14.806 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.037 -6.216 -15.899 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.364 -6.499 -16.435 1.00 0.00 H new ATOM 85 N GLY A 9 8.856 -11.086 -16.053 1.00 0.00 N ATOM 86 CA GLY A 9 9.337 -12.399 -16.441 1.00 0.00 C ATOM 87 C GLY A 9 8.447 -13.516 -15.932 1.00 0.00 C ATOM 88 O GLY A 9 7.231 -13.483 -16.118 1.00 0.00 O ATOM 0 H GLY A 9 8.736 -10.953 -15.049 1.00 0.00 H new ATOM 0 HA2 GLY A 9 9.398 -12.454 -17.528 1.00 0.00 H new ATOM 0 HA3 GLY A 9 10.348 -12.540 -16.058 1.00 0.00 H new ATOM 92 N ASN A 10 9.054 -14.509 -15.290 1.00 0.00 N ATOM 93 CA ASN A 10 8.308 -15.642 -14.755 1.00 0.00 C ATOM 94 C ASN A 10 7.010 -15.179 -14.101 1.00 0.00 C ATOM 95 O ASN A 10 5.955 -15.780 -14.300 1.00 0.00 O ATOM 96 CB ASN A 10 9.160 -16.406 -13.739 1.00 0.00 C ATOM 97 CG ASN A 10 10.621 -16.466 -14.139 1.00 0.00 C ATOM 98 OD1 ASN A 10 11.463 -15.776 -13.565 1.00 0.00 O ATOM 99 ND2 ASN A 10 10.929 -17.296 -15.129 1.00 0.00 N ATOM 0 H ASN A 10 10.060 -14.552 -15.128 1.00 0.00 H new ATOM 0 HA ASN A 10 8.060 -16.305 -15.583 1.00 0.00 H new ATOM 0 HB2 ASN A 10 9.073 -15.928 -12.763 1.00 0.00 H new ATOM 0 HB3 ASN A 10 8.773 -17.420 -13.633 1.00 0.00 H new ATOM 0 HD21 ASN A 10 11.896 -17.380 -15.442 1.00 0.00 H new ATOM 0 HD22 ASN A 10 10.198 -17.849 -15.577 1.00 0.00 H new ATOM 106 N GLU A 11 7.096 -14.106 -13.321 1.00 0.00 N ATOM 107 CA GLU A 11 5.928 -13.562 -12.638 1.00 0.00 C ATOM 108 C GLU A 11 5.454 -12.276 -13.310 1.00 0.00 C ATOM 109 O GLU A 11 6.181 -11.671 -14.098 1.00 0.00 O ATOM 110 CB GLU A 11 6.249 -13.294 -11.167 1.00 0.00 C ATOM 111 CG GLU A 11 5.908 -14.454 -10.247 1.00 0.00 C ATOM 112 CD GLU A 11 7.061 -15.425 -10.080 1.00 0.00 C ATOM 113 OE1 GLU A 11 8.130 -14.997 -9.596 1.00 0.00 O ATOM 114 OE2 GLU A 11 6.895 -16.611 -10.433 1.00 0.00 O ATOM 0 H GLU A 11 7.962 -13.596 -13.146 1.00 0.00 H new ATOM 0 HA GLU A 11 5.127 -14.299 -12.699 1.00 0.00 H new ATOM 0 HB2 GLU A 11 7.311 -13.066 -11.072 1.00 0.00 H new ATOM 0 HB3 GLU A 11 5.702 -12.410 -10.840 1.00 0.00 H new ATOM 0 HG2 GLU A 11 5.621 -14.066 -9.270 1.00 0.00 H new ATOM 0 HG3 GLU A 11 5.044 -14.987 -10.645 1.00 0.00 H new ATOM 121 N ASP A 12 4.232 -11.866 -12.992 1.00 0.00 N ATOM 122 CA ASP A 12 3.660 -10.652 -13.563 1.00 0.00 C ATOM 123 C ASP A 12 3.117 -9.739 -12.468 1.00 0.00 C ATOM 124 O ASP A 12 2.610 -10.209 -11.449 1.00 0.00 O ATOM 125 CB ASP A 12 2.545 -11.003 -14.550 1.00 0.00 C ATOM 126 CG ASP A 12 1.547 -11.985 -13.970 1.00 0.00 C ATOM 127 OD1 ASP A 12 1.802 -13.205 -14.048 1.00 0.00 O ATOM 128 OD2 ASP A 12 0.510 -11.534 -13.440 1.00 0.00 O ATOM 0 H ASP A 12 3.618 -12.356 -12.342 1.00 0.00 H new ATOM 0 HA ASP A 12 4.451 -10.122 -14.093 1.00 0.00 H new ATOM 0 HB2 ASP A 12 2.024 -10.092 -14.845 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.984 -11.426 -15.454 1.00 0.00 H new ATOM 133 N PHE A 13 3.229 -8.433 -12.685 1.00 0.00 N ATOM 134 CA PHE A 13 2.752 -7.454 -11.715 1.00 0.00 C ATOM 135 C PHE A 13 1.404 -7.874 -11.137 1.00 0.00 C ATOM 136 O PHE A 13 1.102 -7.601 -9.976 1.00 0.00 O ATOM 137 CB PHE A 13 2.632 -6.075 -12.367 1.00 0.00 C ATOM 138 CG PHE A 13 2.106 -5.017 -11.440 1.00 0.00 C ATOM 139 CD1 PHE A 13 2.323 -5.103 -10.075 1.00 0.00 C ATOM 140 CD2 PHE A 13 1.395 -3.935 -11.935 1.00 0.00 C ATOM 141 CE1 PHE A 13 1.841 -4.131 -9.219 1.00 0.00 C ATOM 142 CE2 PHE A 13 0.911 -2.960 -11.084 1.00 0.00 C ATOM 143 CZ PHE A 13 1.133 -3.058 -9.724 1.00 0.00 C ATOM 0 H PHE A 13 3.646 -8.028 -13.523 1.00 0.00 H new ATOM 0 HA PHE A 13 3.476 -7.402 -10.902 1.00 0.00 H new ATOM 0 HB2 PHE A 13 3.611 -5.770 -12.735 1.00 0.00 H new ATOM 0 HB3 PHE A 13 1.974 -6.148 -13.233 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.876 -5.940 -9.674 1.00 0.00 H new ATOM 0 HD2 PHE A 13 1.217 -3.853 -12.997 1.00 0.00 H new ATOM 0 HE1 PHE A 13 2.018 -4.210 -8.157 1.00 0.00 H new ATOM 0 HE2 PHE A 13 0.359 -2.121 -11.482 1.00 0.00 H new ATOM 0 HZ PHE A 13 0.754 -2.298 -9.057 1.00 0.00 H new ATOM 153 N ASN A 14 0.596 -8.539 -11.956 1.00 0.00 N ATOM 154 CA ASN A 14 -0.721 -8.996 -11.527 1.00 0.00 C ATOM 155 C ASN A 14 -0.605 -10.226 -10.632 1.00 0.00 C ATOM 156 O ASN A 14 -1.385 -10.402 -9.697 1.00 0.00 O ATOM 157 CB ASN A 14 -1.593 -9.317 -12.743 1.00 0.00 C ATOM 158 CG ASN A 14 -2.070 -8.067 -13.458 1.00 0.00 C ATOM 159 OD1 ASN A 14 -2.732 -7.215 -12.866 1.00 0.00 O ATOM 160 ND2 ASN A 14 -1.734 -7.954 -14.738 1.00 0.00 N ATOM 0 H ASN A 14 0.830 -8.774 -12.921 1.00 0.00 H new ATOM 0 HA ASN A 14 -1.188 -8.195 -10.954 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -1.028 -9.937 -13.439 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -2.456 -9.902 -12.424 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -2.026 -7.135 -15.272 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -1.184 -8.686 -15.187 1.00 0.00 H new ATOM 167 N SER A 15 0.376 -11.075 -10.926 1.00 0.00 N ATOM 168 CA SER A 15 0.593 -12.290 -10.150 1.00 0.00 C ATOM 169 C SER A 15 1.197 -11.964 -8.787 1.00 0.00 C ATOM 170 O SER A 15 0.673 -12.369 -7.750 1.00 0.00 O ATOM 171 CB SER A 15 1.509 -13.250 -10.911 1.00 0.00 C ATOM 172 OG SER A 15 1.474 -14.547 -10.342 1.00 0.00 O ATOM 0 H SER A 15 1.032 -10.943 -11.696 1.00 0.00 H new ATOM 0 HA SER A 15 -0.373 -12.769 -9.994 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.202 -13.299 -11.956 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.531 -12.871 -10.897 1.00 0.00 H new ATOM 0 HG SER A 15 2.066 -15.142 -10.847 1.00 0.00 H new ATOM 178 N VAL A 16 2.305 -11.229 -8.799 1.00 0.00 N ATOM 179 CA VAL A 16 2.981 -10.847 -7.565 1.00 0.00 C ATOM 180 C VAL A 16 2.006 -10.219 -6.575 1.00 0.00 C ATOM 181 O VAL A 16 2.012 -10.550 -5.389 1.00 0.00 O ATOM 182 CB VAL A 16 4.128 -9.855 -7.838 1.00 0.00 C ATOM 183 CG1 VAL A 16 3.654 -8.724 -8.738 1.00 0.00 C ATOM 184 CG2 VAL A 16 4.683 -9.311 -6.531 1.00 0.00 C ATOM 0 H VAL A 16 2.753 -10.887 -9.649 1.00 0.00 H new ATOM 0 HA VAL A 16 3.393 -11.760 -7.135 1.00 0.00 H new ATOM 0 HB VAL A 16 4.929 -10.385 -8.354 1.00 0.00 H new ATOM 0 HG11 VAL A 16 4.478 -8.034 -8.919 1.00 0.00 H new ATOM 0 HG12 VAL A 16 3.309 -9.134 -9.687 1.00 0.00 H new ATOM 0 HG13 VAL A 16 2.835 -8.192 -8.253 1.00 0.00 H new ATOM 0 HG21 VAL A 16 5.492 -8.612 -6.742 1.00 0.00 H new ATOM 0 HG22 VAL A 16 3.892 -8.796 -5.986 1.00 0.00 H new ATOM 0 HG23 VAL A 16 5.063 -10.134 -5.927 1.00 0.00 H new ATOM 194 N ILE A 17 1.171 -9.312 -7.070 1.00 0.00 N ATOM 195 CA ILE A 17 0.189 -8.640 -6.229 1.00 0.00 C ATOM 196 C ILE A 17 -0.847 -9.625 -5.698 1.00 0.00 C ATOM 197 O ILE A 17 -1.139 -9.649 -4.503 1.00 0.00 O ATOM 198 CB ILE A 17 -0.533 -7.516 -6.996 1.00 0.00 C ATOM 199 CG1 ILE A 17 0.441 -6.380 -7.317 1.00 0.00 C ATOM 200 CG2 ILE A 17 -1.713 -6.996 -6.187 1.00 0.00 C ATOM 201 CD1 ILE A 17 1.092 -5.778 -6.092 1.00 0.00 C ATOM 0 H ILE A 17 1.155 -9.026 -8.049 1.00 0.00 H new ATOM 0 HA ILE A 17 0.735 -8.205 -5.392 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.911 -7.922 -7.935 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.217 -6.755 -7.984 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.092 -5.597 -7.857 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.213 -6.202 -6.742 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.415 -7.809 -6.004 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.357 -6.604 -5.235 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.769 -4.979 -6.395 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.324 -5.372 -5.434 1.00 0.00 H new ATOM 0 HD13 ILE A 17 1.653 -6.548 -5.563 1.00 0.00 H new ATOM 213 N GLN A 18 -1.398 -10.436 -6.595 1.00 0.00 N ATOM 214 CA GLN A 18 -2.401 -11.424 -6.216 1.00 0.00 C ATOM 215 C GLN A 18 -1.830 -12.423 -5.215 1.00 0.00 C ATOM 216 O GLN A 18 -2.575 -13.109 -4.516 1.00 0.00 O ATOM 217 CB GLN A 18 -2.914 -12.162 -7.454 1.00 0.00 C ATOM 218 CG GLN A 18 -3.950 -11.378 -8.243 1.00 0.00 C ATOM 219 CD GLN A 18 -5.159 -11.003 -7.408 1.00 0.00 C ATOM 220 OE1 GLN A 18 -5.423 -11.610 -6.370 1.00 0.00 O ATOM 221 NE2 GLN A 18 -5.900 -9.997 -7.858 1.00 0.00 N ATOM 0 H GLN A 18 -1.167 -10.428 -7.588 1.00 0.00 H new ATOM 0 HA GLN A 18 -3.232 -10.899 -5.744 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -2.071 -12.392 -8.105 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.347 -13.114 -7.146 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.491 -10.472 -8.638 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.274 -11.970 -9.099 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.644 -9.522 -8.724 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -6.725 -9.699 -7.338 1.00 0.00 H new ATOM 230 N GLN A 19 -0.504 -12.499 -5.153 1.00 0.00 N ATOM 231 CA GLN A 19 0.166 -13.415 -4.238 1.00 0.00 C ATOM 232 C GLN A 19 0.343 -12.779 -2.863 1.00 0.00 C ATOM 233 O GLN A 19 0.275 -13.460 -1.840 1.00 0.00 O ATOM 234 CB GLN A 19 1.527 -13.828 -4.801 1.00 0.00 C ATOM 235 CG GLN A 19 1.435 -14.831 -5.939 1.00 0.00 C ATOM 236 CD GLN A 19 2.677 -15.692 -6.059 1.00 0.00 C ATOM 237 OE1 GLN A 19 2.610 -16.917 -5.951 1.00 0.00 O ATOM 238 NE2 GLN A 19 3.820 -15.055 -6.284 1.00 0.00 N ATOM 0 H GLN A 19 0.127 -11.938 -5.725 1.00 0.00 H new ATOM 0 HA GLN A 19 -0.459 -14.302 -4.130 1.00 0.00 H new ATOM 0 HB2 GLN A 19 2.050 -12.939 -5.153 1.00 0.00 H new ATOM 0 HB3 GLN A 19 2.128 -14.255 -3.999 1.00 0.00 H new ATOM 0 HG2 GLN A 19 0.567 -15.472 -5.784 1.00 0.00 H new ATOM 0 HG3 GLN A 19 1.275 -14.298 -6.876 1.00 0.00 H new ATOM 0 HE21 GLN A 19 3.830 -14.038 -6.367 1.00 0.00 H new ATOM 0 HE22 GLN A 19 4.688 -15.582 -6.374 1.00 0.00 H new ATOM 247 N MET A 20 0.571 -11.470 -2.847 1.00 0.00 N ATOM 248 CA MET A 20 0.757 -10.742 -1.597 1.00 0.00 C ATOM 249 C MET A 20 -0.585 -10.441 -0.939 1.00 0.00 C ATOM 250 O MET A 20 -0.693 -10.410 0.287 1.00 0.00 O ATOM 251 CB MET A 20 1.518 -9.439 -1.850 1.00 0.00 C ATOM 252 CG MET A 20 2.825 -9.634 -2.602 1.00 0.00 C ATOM 253 SD MET A 20 3.313 -8.173 -3.538 1.00 0.00 S ATOM 254 CE MET A 20 3.533 -6.983 -2.218 1.00 0.00 C ATOM 0 H MET A 20 0.631 -10.892 -3.685 1.00 0.00 H new ATOM 0 HA MET A 20 1.340 -11.370 -0.923 1.00 0.00 H new ATOM 0 HB2 MET A 20 0.881 -8.760 -2.416 1.00 0.00 H new ATOM 0 HB3 MET A 20 1.727 -8.958 -0.894 1.00 0.00 H new ATOM 0 HG2 MET A 20 3.613 -9.886 -1.893 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.725 -10.480 -3.282 1.00 0.00 H new ATOM 0 HE1 MET A 20 3.871 -6.035 -2.636 1.00 0.00 H new ATOM 0 HE2 MET A 20 2.585 -6.834 -1.700 1.00 0.00 H new ATOM 0 HE3 MET A 20 4.277 -7.355 -1.513 1.00 0.00 H new ATOM 264 N ALA A 21 -1.606 -10.219 -1.760 1.00 0.00 N ATOM 265 CA ALA A 21 -2.941 -9.922 -1.257 1.00 0.00 C ATOM 266 C ALA A 21 -3.529 -11.121 -0.519 1.00 0.00 C ATOM 267 O ALA A 21 -4.372 -10.964 0.364 1.00 0.00 O ATOM 268 CB ALA A 21 -3.855 -9.503 -2.399 1.00 0.00 C ATOM 0 H ALA A 21 -1.534 -10.239 -2.777 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.860 -9.097 -0.550 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.849 -9.284 -2.008 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.451 -8.613 -2.881 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.921 -10.311 -3.127 1.00 0.00 H new ATOM 274 N GLN A 22 -3.079 -12.316 -0.888 1.00 0.00 N ATOM 275 CA GLN A 22 -3.562 -13.540 -0.261 1.00 0.00 C ATOM 276 C GLN A 22 -5.085 -13.612 -0.310 1.00 0.00 C ATOM 277 O GLN A 22 -5.725 -14.059 0.641 1.00 0.00 O ATOM 278 CB GLN A 22 -3.082 -13.620 1.189 1.00 0.00 C ATOM 279 CG GLN A 22 -1.613 -13.268 1.364 1.00 0.00 C ATOM 280 CD GLN A 22 -0.704 -14.474 1.236 1.00 0.00 C ATOM 281 OE1 GLN A 22 -1.044 -15.571 1.680 1.00 0.00 O ATOM 282 NE2 GLN A 22 0.459 -14.277 0.627 1.00 0.00 N ATOM 0 H GLN A 22 -2.381 -12.462 -1.617 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.158 -14.386 -0.816 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -3.684 -12.947 1.800 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -3.252 -14.629 1.564 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -1.330 -12.524 0.619 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -1.467 -12.810 2.342 1.00 0.00 H new ATOM 0 HE21 GLN A 22 0.700 -13.351 0.274 1.00 0.00 H new ATOM 0 HE22 GLN A 22 1.112 -15.052 0.512 1.00 0.00 H new ATOM 291 N GLY A 23 -5.658 -13.168 -1.424 1.00 0.00 N ATOM 292 CA GLY A 23 -7.101 -13.191 -1.575 1.00 0.00 C ATOM 293 C GLY A 23 -7.753 -11.903 -1.110 1.00 0.00 C ATOM 294 O GLY A 23 -8.842 -11.552 -1.564 1.00 0.00 O ATOM 0 H GLY A 23 -5.149 -12.793 -2.224 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.351 -13.364 -2.622 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.509 -14.027 -1.007 1.00 0.00 H new ATOM 298 N ARG A 24 -7.086 -11.199 -0.202 1.00 0.00 N ATOM 299 CA ARG A 24 -7.609 -9.945 0.327 1.00 0.00 C ATOM 300 C ARG A 24 -8.051 -9.020 -0.803 1.00 0.00 C ATOM 301 O ARG A 24 -7.407 -8.953 -1.849 1.00 0.00 O ATOM 302 CB ARG A 24 -6.551 -9.249 1.186 1.00 0.00 C ATOM 303 CG ARG A 24 -6.249 -9.974 2.487 1.00 0.00 C ATOM 304 CD ARG A 24 -5.141 -9.283 3.266 1.00 0.00 C ATOM 305 NE ARG A 24 -3.815 -9.719 2.836 1.00 0.00 N ATOM 306 CZ ARG A 24 -2.716 -8.989 2.989 1.00 0.00 C ATOM 307 NH1 ARG A 24 -2.784 -7.794 3.559 1.00 0.00 N ATOM 308 NH2 ARG A 24 -1.545 -9.455 2.572 1.00 0.00 N ATOM 0 H ARG A 24 -6.183 -11.475 0.183 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.477 -10.174 0.946 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -5.631 -9.156 0.609 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -6.888 -8.238 1.413 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.151 -10.019 3.097 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -5.958 -11.002 2.273 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -5.227 -8.204 3.138 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -5.263 -9.489 4.329 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.728 -10.634 2.394 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.682 -7.433 3.881 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -1.938 -7.236 3.675 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -1.489 -10.374 2.134 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -0.702 -8.894 2.690 1.00 0.00 H new ATOM 322 N GLN A 25 -9.153 -8.311 -0.584 1.00 0.00 N ATOM 323 CA GLN A 25 -9.681 -7.392 -1.585 1.00 0.00 C ATOM 324 C GLN A 25 -8.710 -6.243 -1.835 1.00 0.00 C ATOM 325 O GLN A 25 -8.405 -5.467 -0.930 1.00 0.00 O ATOM 326 CB GLN A 25 -11.036 -6.841 -1.137 1.00 0.00 C ATOM 327 CG GLN A 25 -11.530 -5.678 -1.983 1.00 0.00 C ATOM 328 CD GLN A 25 -12.819 -5.079 -1.456 1.00 0.00 C ATOM 329 OE1 GLN A 25 -13.628 -5.767 -0.834 1.00 0.00 O ATOM 330 NE2 GLN A 25 -13.016 -3.789 -1.703 1.00 0.00 N ATOM 0 H GLN A 25 -9.698 -8.355 0.277 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.810 -7.944 -2.516 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -11.774 -7.643 -1.170 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -10.962 -6.518 -0.098 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -10.762 -4.906 -2.016 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -11.684 -6.018 -3.007 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -12.318 -3.257 -2.223 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -13.865 -3.330 -1.373 1.00 0.00 H new ATOM 339 N ILE A 26 -8.227 -6.142 -3.069 1.00 0.00 N ATOM 340 CA ILE A 26 -7.291 -5.088 -3.438 1.00 0.00 C ATOM 341 C ILE A 26 -8.026 -3.806 -3.814 1.00 0.00 C ATOM 342 O ILE A 26 -9.114 -3.849 -4.388 1.00 0.00 O ATOM 343 CB ILE A 26 -6.395 -5.517 -4.616 1.00 0.00 C ATOM 344 CG1 ILE A 26 -5.721 -6.856 -4.311 1.00 0.00 C ATOM 345 CG2 ILE A 26 -5.353 -4.447 -4.906 1.00 0.00 C ATOM 346 CD1 ILE A 26 -5.031 -7.472 -5.508 1.00 0.00 C ATOM 0 H ILE A 26 -8.469 -6.777 -3.830 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.665 -4.902 -2.565 1.00 0.00 H new ATOM 0 HB ILE A 26 -7.018 -5.639 -5.502 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.991 -6.713 -3.515 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -6.470 -7.553 -3.935 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.728 -4.765 -5.740 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.852 -3.513 -5.162 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.731 -4.296 -4.024 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.575 -8.419 -5.218 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.761 -7.647 -6.298 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -4.259 -6.794 -5.871 1.00 0.00 H new ATOM 358 N GLU A 27 -7.424 -2.667 -3.488 1.00 0.00 N ATOM 359 CA GLU A 27 -8.022 -1.372 -3.793 1.00 0.00 C ATOM 360 C GLU A 27 -6.967 -0.389 -4.292 1.00 0.00 C ATOM 361 O GLU A 27 -5.944 -0.175 -3.640 1.00 0.00 O ATOM 362 CB GLU A 27 -8.720 -0.804 -2.556 1.00 0.00 C ATOM 363 CG GLU A 27 -10.153 -1.281 -2.393 1.00 0.00 C ATOM 364 CD GLU A 27 -10.992 -1.042 -3.633 1.00 0.00 C ATOM 365 OE1 GLU A 27 -11.022 -1.933 -4.509 1.00 0.00 O ATOM 366 OE2 GLU A 27 -11.618 0.034 -3.730 1.00 0.00 O ATOM 0 H GLU A 27 -6.523 -2.614 -3.013 1.00 0.00 H new ATOM 0 HA GLU A 27 -8.759 -1.518 -4.582 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.151 -1.081 -1.669 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -8.713 0.284 -2.613 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.153 -2.345 -2.158 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -10.609 -0.768 -1.546 1.00 0.00 H new ATOM 373 N TYR A 28 -7.222 0.205 -5.452 1.00 0.00 N ATOM 374 CA TYR A 28 -6.294 1.163 -6.040 1.00 0.00 C ATOM 375 C TYR A 28 -6.558 2.571 -5.515 1.00 0.00 C ATOM 376 O TYR A 28 -7.491 3.245 -5.953 1.00 0.00 O ATOM 377 CB TYR A 28 -6.409 1.146 -7.565 1.00 0.00 C ATOM 378 CG TYR A 28 -6.296 -0.236 -8.166 1.00 0.00 C ATOM 379 CD1 TYR A 28 -7.393 -1.089 -8.210 1.00 0.00 C ATOM 380 CD2 TYR A 28 -5.092 -0.691 -8.691 1.00 0.00 C ATOM 381 CE1 TYR A 28 -7.293 -2.353 -8.757 1.00 0.00 C ATOM 382 CE2 TYR A 28 -4.984 -1.953 -9.242 1.00 0.00 C ATOM 383 CZ TYR A 28 -6.087 -2.781 -9.271 1.00 0.00 C ATOM 384 OH TYR A 28 -5.985 -4.039 -9.819 1.00 0.00 O ATOM 0 H TYR A 28 -8.064 0.040 -6.004 1.00 0.00 H new ATOM 0 HA TYR A 28 -5.283 0.872 -5.755 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -7.366 1.581 -7.853 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -5.630 1.781 -7.987 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -8.340 -0.757 -7.810 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -4.226 -0.046 -8.668 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -8.155 -3.003 -8.782 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -4.041 -2.290 -9.648 1.00 0.00 H new ATOM 0 HH TYR A 28 -5.069 -4.184 -10.136 1.00 0.00 H new ATOM 394 N ILE A 29 -5.729 3.009 -4.573 1.00 0.00 N ATOM 395 CA ILE A 29 -5.871 4.336 -3.988 1.00 0.00 C ATOM 396 C ILE A 29 -5.069 5.370 -4.770 1.00 0.00 C ATOM 397 O ILE A 29 -3.841 5.406 -4.693 1.00 0.00 O ATOM 398 CB ILE A 29 -5.415 4.355 -2.517 1.00 0.00 C ATOM 399 CG1 ILE A 29 -5.885 3.089 -1.798 1.00 0.00 C ATOM 400 CG2 ILE A 29 -5.943 5.597 -1.814 1.00 0.00 C ATOM 401 CD1 ILE A 29 -7.385 3.014 -1.624 1.00 0.00 C ATOM 0 H ILE A 29 -4.952 2.464 -4.199 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.930 4.589 -4.035 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.326 4.382 -2.490 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -5.548 2.217 -2.358 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.411 3.041 -0.818 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.612 5.596 -0.775 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.563 6.488 -2.315 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -7.032 5.599 -1.848 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -7.646 2.091 -1.107 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -7.726 3.867 -1.038 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -7.866 3.030 -2.602 1.00 0.00 H new ATOM 413 N ASP A 30 -5.771 6.210 -5.522 1.00 0.00 N ATOM 414 CA ASP A 30 -5.125 7.248 -6.317 1.00 0.00 C ATOM 415 C ASP A 30 -4.981 8.537 -5.515 1.00 0.00 C ATOM 416 O ASP A 30 -5.947 9.280 -5.336 1.00 0.00 O ATOM 417 CB ASP A 30 -5.925 7.514 -7.594 1.00 0.00 C ATOM 418 CG ASP A 30 -5.049 7.990 -8.737 1.00 0.00 C ATOM 419 OD1 ASP A 30 -4.804 9.211 -8.828 1.00 0.00 O ATOM 420 OD2 ASP A 30 -4.608 7.141 -9.539 1.00 0.00 O ATOM 0 H ASP A 30 -6.788 6.193 -5.598 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.129 6.897 -6.587 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.442 6.602 -7.892 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.691 8.263 -7.390 1.00 0.00 H new ATOM 425 N ILE A 31 -3.770 8.795 -5.032 1.00 0.00 N ATOM 426 CA ILE A 31 -3.500 9.994 -4.248 1.00 0.00 C ATOM 427 C ILE A 31 -2.881 11.087 -5.112 1.00 0.00 C ATOM 428 O ILE A 31 -1.898 10.854 -5.815 1.00 0.00 O ATOM 429 CB ILE A 31 -2.559 9.694 -3.066 1.00 0.00 C ATOM 430 CG1 ILE A 31 -3.313 8.949 -1.963 1.00 0.00 C ATOM 431 CG2 ILE A 31 -1.959 10.984 -2.527 1.00 0.00 C ATOM 432 CD1 ILE A 31 -2.404 8.259 -0.970 1.00 0.00 C ATOM 0 H ILE A 31 -2.961 8.190 -5.170 1.00 0.00 H new ATOM 0 HA ILE A 31 -4.458 10.340 -3.860 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.747 9.058 -3.418 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.951 9.654 -1.430 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.969 8.207 -2.419 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.296 10.756 -1.692 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.392 11.479 -3.316 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.758 11.643 -2.187 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -3.007 7.751 -0.217 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.784 7.529 -1.491 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.766 8.998 -0.486 1.00 0.00 H new ATOM 444 N GLU A 32 -3.461 12.282 -5.051 1.00 0.00 N ATOM 445 CA GLU A 32 -2.964 13.412 -5.828 1.00 0.00 C ATOM 446 C GLU A 32 -1.722 14.015 -5.177 1.00 0.00 C ATOM 447 O GLU A 32 -1.796 15.049 -4.513 1.00 0.00 O ATOM 448 CB GLU A 32 -4.050 14.481 -5.967 1.00 0.00 C ATOM 449 CG GLU A 32 -4.913 14.313 -7.206 1.00 0.00 C ATOM 450 CD GLU A 32 -5.473 15.630 -7.709 1.00 0.00 C ATOM 451 OE1 GLU A 32 -4.672 16.506 -8.096 1.00 0.00 O ATOM 452 OE2 GLU A 32 -6.712 15.783 -7.716 1.00 0.00 O ATOM 0 H GLU A 32 -4.274 12.492 -4.472 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.694 13.048 -6.819 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.688 14.456 -5.084 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -3.580 15.464 -5.993 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.322 13.848 -7.995 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.736 13.634 -6.982 1.00 0.00 H new ATOM 459 N ARG A 33 -0.582 13.361 -5.374 1.00 0.00 N ATOM 460 CA ARG A 33 0.676 13.831 -4.806 1.00 0.00 C ATOM 461 C ARG A 33 0.759 15.354 -4.854 1.00 0.00 C ATOM 462 O ARG A 33 0.885 15.959 -5.919 1.00 0.00 O ATOM 463 CB ARG A 33 1.860 13.220 -5.558 1.00 0.00 C ATOM 464 CG ARG A 33 3.105 13.053 -4.703 1.00 0.00 C ATOM 465 CD ARG A 33 3.530 14.371 -4.075 1.00 0.00 C ATOM 466 NE ARG A 33 4.980 14.461 -3.920 1.00 0.00 N ATOM 467 CZ ARG A 33 5.638 13.976 -2.873 1.00 0.00 C ATOM 468 NH1 ARG A 33 4.980 13.369 -1.895 1.00 0.00 N ATOM 469 NH2 ARG A 33 6.958 14.096 -2.804 1.00 0.00 N ATOM 0 H ARG A 33 -0.504 12.505 -5.922 1.00 0.00 H new ATOM 0 HA ARG A 33 0.715 13.515 -3.763 1.00 0.00 H new ATOM 0 HB2 ARG A 33 1.566 12.247 -5.951 1.00 0.00 H new ATOM 0 HB3 ARG A 33 2.100 13.850 -6.414 1.00 0.00 H new ATOM 0 HG2 ARG A 33 2.914 12.320 -3.919 1.00 0.00 H new ATOM 0 HG3 ARG A 33 3.918 12.661 -5.314 1.00 0.00 H new ATOM 0 HD2 ARG A 33 3.180 15.197 -4.694 1.00 0.00 H new ATOM 0 HD3 ARG A 33 3.054 14.478 -3.100 1.00 0.00 H new ATOM 0 HE ARG A 33 5.516 14.921 -4.656 1.00 0.00 H new ATOM 0 HH11 ARG A 33 3.966 13.273 -1.945 1.00 0.00 H new ATOM 0 HH12 ARG A 33 5.488 12.998 -1.092 1.00 0.00 H new ATOM 0 HH21 ARG A 33 7.468 14.561 -3.555 1.00 0.00 H new ATOM 0 HH22 ARG A 33 7.463 13.723 -2.000 1.00 0.00 H new ATOM 483 N PRO A 34 0.688 15.988 -3.675 1.00 0.00 N ATOM 484 CA PRO A 34 0.753 17.448 -3.556 1.00 0.00 C ATOM 485 C PRO A 34 2.140 17.994 -3.876 1.00 0.00 C ATOM 486 O PRO A 34 3.148 17.481 -3.390 1.00 0.00 O ATOM 487 CB PRO A 34 0.405 17.700 -2.086 1.00 0.00 C ATOM 488 CG PRO A 34 0.787 16.442 -1.386 1.00 0.00 C ATOM 489 CD PRO A 34 0.538 15.330 -2.366 1.00 0.00 C ATOM 0 HA PRO A 34 0.083 17.945 -4.258 1.00 0.00 H new ATOM 0 HB2 PRO A 34 0.953 18.555 -1.690 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -0.656 17.916 -1.962 1.00 0.00 H new ATOM 0 HG2 PRO A 34 1.833 16.467 -1.082 1.00 0.00 H new ATOM 0 HG3 PRO A 34 0.195 16.304 -0.481 1.00 0.00 H new ATOM 0 HD2 PRO A 34 1.253 14.517 -2.241 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -0.457 14.902 -2.243 1.00 0.00 H new ATOM 497 N SER A 35 2.185 19.038 -4.698 1.00 0.00 N ATOM 498 CA SER A 35 3.449 19.652 -5.086 1.00 0.00 C ATOM 499 C SER A 35 4.364 19.822 -3.877 1.00 0.00 C ATOM 500 O SER A 35 5.497 19.340 -3.867 1.00 0.00 O ATOM 501 CB SER A 35 3.200 21.009 -5.747 1.00 0.00 C ATOM 502 OG SER A 35 4.402 21.554 -6.262 1.00 0.00 O ATOM 0 H SER A 35 1.360 19.476 -5.108 1.00 0.00 H new ATOM 0 HA SER A 35 3.940 18.993 -5.802 1.00 0.00 H new ATOM 0 HB2 SER A 35 2.474 20.897 -6.552 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.767 21.697 -5.021 1.00 0.00 H new ATOM 0 HG SER A 35 4.215 22.420 -6.681 1.00 0.00 H new ATOM 508 N THR A 36 3.864 20.513 -2.857 1.00 0.00 N ATOM 509 CA THR A 36 4.635 20.750 -1.643 1.00 0.00 C ATOM 510 C THR A 36 4.997 19.437 -0.958 1.00 0.00 C ATOM 511 O THR A 36 5.949 19.374 -0.180 1.00 0.00 O ATOM 512 CB THR A 36 3.861 21.637 -0.650 1.00 0.00 C ATOM 513 OG1 THR A 36 2.823 20.878 -0.020 1.00 0.00 O ATOM 514 CG2 THR A 36 3.257 22.841 -1.357 1.00 0.00 C ATOM 0 H THR A 36 2.928 20.918 -2.848 1.00 0.00 H new ATOM 0 HA THR A 36 5.548 21.265 -1.943 1.00 0.00 H new ATOM 0 HB THR A 36 4.561 21.992 0.106 1.00 0.00 H new ATOM 0 HG1 THR A 36 2.337 21.449 0.611 1.00 0.00 H new ATOM 0 HG21 THR A 36 2.715 23.453 -0.636 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.052 23.433 -1.810 1.00 0.00 H new ATOM 0 HG23 THR A 36 2.570 22.501 -2.132 1.00 0.00 H new ATOM 522 N GLY A 37 4.232 18.390 -1.252 1.00 0.00 N ATOM 523 CA GLY A 37 4.490 17.092 -0.656 1.00 0.00 C ATOM 524 C GLY A 37 3.810 16.927 0.689 1.00 0.00 C ATOM 525 O GLY A 37 2.976 17.744 1.075 1.00 0.00 O ATOM 0 H GLY A 37 3.438 18.417 -1.892 1.00 0.00 H new ATOM 0 HA2 GLY A 37 4.145 16.310 -1.332 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.565 16.958 -0.535 1.00 0.00 H new ATOM 529 N GLY A 38 4.167 15.864 1.404 1.00 0.00 N ATOM 530 CA GLY A 38 3.574 15.612 2.704 1.00 0.00 C ATOM 531 C GLY A 38 2.278 14.832 2.610 1.00 0.00 C ATOM 532 O GLY A 38 1.234 15.289 3.076 1.00 0.00 O ATOM 0 H GLY A 38 4.856 15.173 1.106 1.00 0.00 H new ATOM 0 HA2 GLY A 38 4.282 15.060 3.322 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.387 16.562 3.205 1.00 0.00 H new ATOM 536 N LEU A 39 2.343 13.651 2.003 1.00 0.00 N ATOM 537 CA LEU A 39 1.165 12.805 1.847 1.00 0.00 C ATOM 538 C LEU A 39 0.246 12.922 3.059 1.00 0.00 C ATOM 539 O LEU A 39 -0.972 12.798 2.942 1.00 0.00 O ATOM 540 CB LEU A 39 1.582 11.347 1.647 1.00 0.00 C ATOM 541 CG LEU A 39 2.919 11.123 0.940 1.00 0.00 C ATOM 542 CD1 LEU A 39 3.174 9.637 0.739 1.00 0.00 C ATOM 543 CD2 LEU A 39 2.947 11.856 -0.393 1.00 0.00 C ATOM 0 H LEU A 39 3.199 13.258 1.611 1.00 0.00 H new ATOM 0 HA LEU A 39 0.619 13.144 0.966 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.625 10.865 2.624 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.803 10.842 1.076 1.00 0.00 H new ATOM 0 HG LEU A 39 3.713 11.525 1.569 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.130 9.497 0.234 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.198 9.138 1.708 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.377 9.210 0.131 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.906 11.685 -0.882 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.144 11.484 -1.029 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.811 12.924 -0.224 1.00 0.00 H new ATOM 555 N GLY A 40 0.839 13.164 4.224 1.00 0.00 N ATOM 556 CA GLY A 40 0.059 13.295 5.441 1.00 0.00 C ATOM 557 C GLY A 40 -0.145 11.969 6.145 1.00 0.00 C ATOM 558 O GLY A 40 -0.853 11.893 7.149 1.00 0.00 O ATOM 0 H GLY A 40 1.846 13.272 4.347 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.560 13.988 6.117 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.912 13.729 5.202 1.00 0.00 H new ATOM 562 N PHE A 41 0.474 10.918 5.616 1.00 0.00 N ATOM 563 CA PHE A 41 0.354 9.587 6.199 1.00 0.00 C ATOM 564 C PHE A 41 1.716 8.904 6.280 1.00 0.00 C ATOM 565 O PHE A 41 2.503 8.950 5.334 1.00 0.00 O ATOM 566 CB PHE A 41 -0.610 8.731 5.374 1.00 0.00 C ATOM 567 CG PHE A 41 0.021 8.124 4.154 1.00 0.00 C ATOM 568 CD1 PHE A 41 0.811 6.990 4.257 1.00 0.00 C ATOM 569 CD2 PHE A 41 -0.175 8.687 2.903 1.00 0.00 C ATOM 570 CE1 PHE A 41 1.393 6.430 3.136 1.00 0.00 C ATOM 571 CE2 PHE A 41 0.405 8.131 1.778 1.00 0.00 C ATOM 572 CZ PHE A 41 1.189 7.000 1.895 1.00 0.00 C ATOM 0 H PHE A 41 1.064 10.963 4.785 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.040 9.694 7.210 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.005 7.934 6.004 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.457 9.345 5.068 1.00 0.00 H new ATOM 0 HD1 PHE A 41 0.974 6.539 5.225 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.788 9.571 2.806 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.007 5.547 3.230 1.00 0.00 H new ATOM 0 HE2 PHE A 41 0.245 8.580 0.809 1.00 0.00 H new ATOM 0 HZ PHE A 41 1.642 6.562 1.018 1.00 0.00 H new ATOM 582 N SER A 42 1.987 8.271 7.417 1.00 0.00 N ATOM 583 CA SER A 42 3.255 7.582 7.624 1.00 0.00 C ATOM 584 C SER A 42 3.134 6.103 7.274 1.00 0.00 C ATOM 585 O SER A 42 2.041 5.605 7.001 1.00 0.00 O ATOM 586 CB SER A 42 3.713 7.738 9.076 1.00 0.00 C ATOM 587 OG SER A 42 4.251 9.029 9.305 1.00 0.00 O ATOM 0 H SER A 42 1.346 8.221 8.209 1.00 0.00 H new ATOM 0 HA SER A 42 3.997 8.033 6.965 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.871 7.567 9.747 1.00 0.00 H new ATOM 0 HB3 SER A 42 4.463 6.982 9.307 1.00 0.00 H new ATOM 0 HG SER A 42 4.535 9.104 10.240 1.00 0.00 H new ATOM 593 N VAL A 43 4.264 5.403 7.284 1.00 0.00 N ATOM 594 CA VAL A 43 4.285 3.980 6.969 1.00 0.00 C ATOM 595 C VAL A 43 5.192 3.218 7.929 1.00 0.00 C ATOM 596 O VAL A 43 6.255 3.704 8.313 1.00 0.00 O ATOM 597 CB VAL A 43 4.761 3.732 5.525 1.00 0.00 C ATOM 598 CG1 VAL A 43 3.653 4.052 4.534 1.00 0.00 C ATOM 599 CG2 VAL A 43 6.007 4.553 5.227 1.00 0.00 C ATOM 0 H VAL A 43 5.177 5.799 7.507 1.00 0.00 H new ATOM 0 HA VAL A 43 3.263 3.617 7.074 1.00 0.00 H new ATOM 0 HB VAL A 43 5.014 2.677 5.421 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.008 3.871 3.520 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.790 3.417 4.735 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.365 5.098 4.636 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.330 4.366 4.203 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.782 5.613 5.349 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.803 4.270 5.916 1.00 0.00 H new ATOM 609 N VAL A 44 4.763 2.019 8.313 1.00 0.00 N ATOM 610 CA VAL A 44 5.537 1.188 9.227 1.00 0.00 C ATOM 611 C VAL A 44 6.099 -0.037 8.514 1.00 0.00 C ATOM 612 O VAL A 44 5.390 -0.718 7.775 1.00 0.00 O ATOM 613 CB VAL A 44 4.683 0.725 10.423 1.00 0.00 C ATOM 614 CG1 VAL A 44 4.385 1.893 11.350 1.00 0.00 C ATOM 615 CG2 VAL A 44 3.396 0.076 9.939 1.00 0.00 C ATOM 0 H VAL A 44 3.884 1.602 8.005 1.00 0.00 H new ATOM 0 HA VAL A 44 6.360 1.801 9.593 1.00 0.00 H new ATOM 0 HB VAL A 44 5.249 -0.018 10.985 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.781 1.547 12.189 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.321 2.309 11.724 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.839 2.662 10.803 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.805 -0.245 10.797 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.824 0.795 9.353 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.635 -0.788 9.319 1.00 0.00 H new ATOM 625 N ALA A 45 7.380 -0.310 8.742 1.00 0.00 N ATOM 626 CA ALA A 45 8.038 -1.455 8.123 1.00 0.00 C ATOM 627 C ALA A 45 7.989 -2.675 9.036 1.00 0.00 C ATOM 628 O ALA A 45 8.391 -2.610 10.199 1.00 0.00 O ATOM 629 CB ALA A 45 9.478 -1.110 7.775 1.00 0.00 C ATOM 0 H ALA A 45 7.982 0.245 9.350 1.00 0.00 H new ATOM 0 HA ALA A 45 7.503 -1.699 7.205 1.00 0.00 H new ATOM 0 HB1 ALA A 45 9.958 -1.973 7.314 1.00 0.00 H new ATOM 0 HB2 ALA A 45 9.493 -0.271 7.079 1.00 0.00 H new ATOM 0 HB3 ALA A 45 10.016 -0.838 8.683 1.00 0.00 H new ATOM 635 N LEU A 46 7.495 -3.787 8.504 1.00 0.00 N ATOM 636 CA LEU A 46 7.394 -5.024 9.271 1.00 0.00 C ATOM 637 C LEU A 46 7.781 -6.227 8.418 1.00 0.00 C ATOM 638 O LEU A 46 7.045 -6.624 7.515 1.00 0.00 O ATOM 639 CB LEU A 46 5.971 -5.200 9.806 1.00 0.00 C ATOM 640 CG LEU A 46 5.434 -4.061 10.673 1.00 0.00 C ATOM 641 CD1 LEU A 46 3.913 -4.068 10.682 1.00 0.00 C ATOM 642 CD2 LEU A 46 5.978 -4.168 12.090 1.00 0.00 C ATOM 0 H LEU A 46 7.158 -3.858 7.544 1.00 0.00 H new ATOM 0 HA LEU A 46 8.086 -4.960 10.110 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.299 -5.332 8.958 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.934 -6.121 10.388 1.00 0.00 H new ATOM 0 HG LEU A 46 5.770 -3.116 10.246 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.549 -3.250 11.304 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.543 -3.942 9.665 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.556 -5.016 11.084 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.585 -3.349 12.693 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.672 -5.119 12.526 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.066 -4.112 12.067 1.00 0.00 H new ATOM 654 N ARG A 47 8.941 -6.805 8.713 1.00 0.00 N ATOM 655 CA ARG A 47 9.427 -7.965 7.974 1.00 0.00 C ATOM 656 C ARG A 47 8.360 -9.054 7.909 1.00 0.00 C ATOM 657 O ARG A 47 7.857 -9.505 8.938 1.00 0.00 O ATOM 658 CB ARG A 47 10.696 -8.517 8.625 1.00 0.00 C ATOM 659 CG ARG A 47 11.651 -9.171 7.640 1.00 0.00 C ATOM 660 CD ARG A 47 11.095 -10.484 7.113 1.00 0.00 C ATOM 661 NE ARG A 47 11.011 -11.502 8.157 1.00 0.00 N ATOM 662 CZ ARG A 47 12.064 -12.164 8.623 1.00 0.00 C ATOM 663 NH1 ARG A 47 13.274 -11.916 8.141 1.00 0.00 N ATOM 664 NH2 ARG A 47 11.908 -13.076 9.574 1.00 0.00 N ATOM 0 H ARG A 47 9.562 -6.489 9.458 1.00 0.00 H new ATOM 0 HA ARG A 47 9.658 -7.646 6.958 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.214 -7.706 9.136 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.416 -9.246 9.386 1.00 0.00 H new ATOM 0 HG2 ARG A 47 11.837 -8.493 6.807 1.00 0.00 H new ATOM 0 HG3 ARG A 47 12.610 -9.350 8.126 1.00 0.00 H new ATOM 0 HD2 ARG A 47 10.104 -10.315 6.691 1.00 0.00 H new ATOM 0 HD3 ARG A 47 11.728 -10.847 6.303 1.00 0.00 H new ATOM 0 HE ARG A 47 10.094 -11.716 8.549 1.00 0.00 H new ATOM 0 HH11 ARG A 47 13.398 -11.215 7.410 1.00 0.00 H new ATOM 0 HH12 ARG A 47 14.081 -12.426 8.501 1.00 0.00 H new ATOM 0 HH21 ARG A 47 10.979 -13.269 9.948 1.00 0.00 H new ATOM 0 HH22 ARG A 47 12.717 -13.584 9.931 1.00 0.00 H new ATOM 678 N SER A 48 8.020 -9.471 6.694 1.00 0.00 N ATOM 679 CA SER A 48 7.010 -10.504 6.495 1.00 0.00 C ATOM 680 C SER A 48 7.575 -11.885 6.814 1.00 0.00 C ATOM 681 O SER A 48 8.784 -12.050 6.971 1.00 0.00 O ATOM 682 CB SER A 48 6.493 -10.471 5.055 1.00 0.00 C ATOM 683 OG SER A 48 5.148 -10.912 4.986 1.00 0.00 O ATOM 0 H SER A 48 8.429 -9.110 5.832 1.00 0.00 H new ATOM 0 HA SER A 48 6.182 -10.304 7.175 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.567 -9.457 4.662 1.00 0.00 H new ATOM 0 HB3 SER A 48 7.119 -11.104 4.426 1.00 0.00 H new ATOM 0 HG SER A 48 4.551 -10.187 5.267 1.00 0.00 H new ATOM 689 N GLN A 49 6.690 -12.872 6.907 1.00 0.00 N ATOM 690 CA GLN A 49 7.100 -14.239 7.207 1.00 0.00 C ATOM 691 C GLN A 49 7.388 -15.015 5.926 1.00 0.00 C ATOM 692 O GLN A 49 8.296 -15.844 5.882 1.00 0.00 O ATOM 693 CB GLN A 49 6.017 -14.952 8.017 1.00 0.00 C ATOM 694 CG GLN A 49 6.497 -16.233 8.681 1.00 0.00 C ATOM 695 CD GLN A 49 5.623 -16.649 9.848 1.00 0.00 C ATOM 696 OE1 GLN A 49 5.020 -15.809 10.517 1.00 0.00 O ATOM 697 NE2 GLN A 49 5.550 -17.951 10.098 1.00 0.00 N ATOM 0 H GLN A 49 5.685 -12.751 6.779 1.00 0.00 H new ATOM 0 HA GLN A 49 8.016 -14.196 7.797 1.00 0.00 H new ATOM 0 HB2 GLN A 49 5.643 -14.274 8.784 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.179 -15.185 7.361 1.00 0.00 H new ATOM 0 HG2 GLN A 49 6.517 -17.035 7.943 1.00 0.00 H new ATOM 0 HG3 GLN A 49 7.521 -16.095 9.030 1.00 0.00 H new ATOM 0 HE21 GLN A 49 6.067 -18.612 9.517 1.00 0.00 H new ATOM 0 HE22 GLN A 49 4.977 -18.291 10.871 1.00 0.00 H new ATOM 706 N ASN A 50 6.609 -14.739 4.885 1.00 0.00 N ATOM 707 CA ASN A 50 6.780 -15.413 3.603 1.00 0.00 C ATOM 708 C ASN A 50 8.259 -15.609 3.285 1.00 0.00 C ATOM 709 O ASN A 50 8.723 -16.736 3.107 1.00 0.00 O ATOM 710 CB ASN A 50 6.109 -14.609 2.488 1.00 0.00 C ATOM 711 CG ASN A 50 4.631 -14.923 2.357 1.00 0.00 C ATOM 712 OD1 ASN A 50 4.220 -16.079 2.458 1.00 0.00 O ATOM 713 ND2 ASN A 50 3.825 -13.892 2.133 1.00 0.00 N ATOM 0 H ASN A 50 5.854 -14.054 4.904 1.00 0.00 H new ATOM 0 HA ASN A 50 6.308 -16.393 3.670 1.00 0.00 H new ATOM 0 HB2 ASN A 50 6.235 -13.544 2.685 1.00 0.00 H new ATOM 0 HB3 ASN A 50 6.607 -14.819 1.542 1.00 0.00 H new ATOM 0 HD21 ASN A 50 2.821 -14.041 2.037 1.00 0.00 H new ATOM 0 HD22 ASN A 50 4.210 -12.951 2.057 1.00 0.00 H new ATOM 720 N LEU A 51 8.995 -14.505 3.215 1.00 0.00 N ATOM 721 CA LEU A 51 10.422 -14.554 2.918 1.00 0.00 C ATOM 722 C LEU A 51 11.052 -13.170 3.038 1.00 0.00 C ATOM 723 O LEU A 51 10.385 -12.203 3.405 1.00 0.00 O ATOM 724 CB LEU A 51 10.653 -15.111 1.513 1.00 0.00 C ATOM 725 CG LEU A 51 10.355 -14.157 0.355 1.00 0.00 C ATOM 726 CD1 LEU A 51 9.132 -13.307 0.665 1.00 0.00 C ATOM 727 CD2 LEU A 51 11.561 -13.275 0.069 1.00 0.00 C ATOM 0 H LEU A 51 8.627 -13.565 3.360 1.00 0.00 H new ATOM 0 HA LEU A 51 10.896 -15.213 3.646 1.00 0.00 H new ATOM 0 HB2 LEU A 51 11.693 -15.430 1.437 1.00 0.00 H new ATOM 0 HB3 LEU A 51 10.037 -16.002 1.391 1.00 0.00 H new ATOM 0 HG LEU A 51 10.144 -14.750 -0.535 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.935 -12.634 -0.170 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.269 -13.954 0.821 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.314 -12.722 1.567 1.00 0.00 H new ATOM 0 HD21 LEU A 51 11.332 -12.602 -0.758 1.00 0.00 H new ATOM 0 HD22 LEU A 51 11.803 -12.690 0.957 1.00 0.00 H new ATOM 0 HD23 LEU A 51 12.414 -13.900 -0.197 1.00 0.00 H new ATOM 739 N GLY A 52 12.341 -13.082 2.725 1.00 0.00 N ATOM 740 CA GLY A 52 13.038 -11.812 2.802 1.00 0.00 C ATOM 741 C GLY A 52 12.253 -10.680 2.169 1.00 0.00 C ATOM 742 O GLY A 52 12.403 -10.399 0.979 1.00 0.00 O ATOM 0 H GLY A 52 12.915 -13.868 2.419 1.00 0.00 H new ATOM 0 HA2 GLY A 52 13.236 -11.573 3.847 1.00 0.00 H new ATOM 0 HA3 GLY A 52 14.005 -11.901 2.306 1.00 0.00 H new ATOM 746 N LYS A 53 11.411 -10.028 2.964 1.00 0.00 N ATOM 747 CA LYS A 53 10.599 -8.921 2.475 1.00 0.00 C ATOM 748 C LYS A 53 9.994 -8.136 3.635 1.00 0.00 C ATOM 749 O LYS A 53 9.963 -8.612 4.770 1.00 0.00 O ATOM 750 CB LYS A 53 9.486 -9.442 1.563 1.00 0.00 C ATOM 751 CG LYS A 53 8.273 -9.959 2.318 1.00 0.00 C ATOM 752 CD LYS A 53 7.093 -10.186 1.388 1.00 0.00 C ATOM 753 CE LYS A 53 6.384 -8.881 1.060 1.00 0.00 C ATOM 754 NZ LYS A 53 5.178 -9.102 0.214 1.00 0.00 N ATOM 0 H LYS A 53 11.273 -10.248 3.951 1.00 0.00 H new ATOM 0 HA LYS A 53 11.245 -8.253 1.905 1.00 0.00 H new ATOM 0 HB2 LYS A 53 9.172 -8.642 0.893 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.884 -10.243 0.939 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.527 -10.893 2.820 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.994 -9.245 3.093 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.439 -10.655 0.467 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.390 -10.877 1.853 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.092 -8.384 1.985 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.073 -8.213 0.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.493 -8.337 0.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.454 -9.109 -0.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.744 -10.015 0.460 1.00 0.00 H new ATOM 768 N VAL A 54 9.514 -6.932 3.343 1.00 0.00 N ATOM 769 CA VAL A 54 8.907 -6.082 4.361 1.00 0.00 C ATOM 770 C VAL A 54 7.485 -5.693 3.976 1.00 0.00 C ATOM 771 O VAL A 54 7.178 -5.506 2.799 1.00 0.00 O ATOM 772 CB VAL A 54 9.734 -4.803 4.590 1.00 0.00 C ATOM 773 CG1 VAL A 54 9.202 -4.030 5.787 1.00 0.00 C ATOM 774 CG2 VAL A 54 11.204 -5.146 4.776 1.00 0.00 C ATOM 0 H VAL A 54 9.534 -6.522 2.409 1.00 0.00 H new ATOM 0 HA VAL A 54 8.884 -6.661 5.284 1.00 0.00 H new ATOM 0 HB VAL A 54 9.642 -4.168 3.709 1.00 0.00 H new ATOM 0 HG11 VAL A 54 9.799 -3.130 5.933 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.163 -3.752 5.608 1.00 0.00 H new ATOM 0 HG13 VAL A 54 9.262 -4.654 6.679 1.00 0.00 H new ATOM 0 HG21 VAL A 54 11.774 -4.231 4.937 1.00 0.00 H new ATOM 0 HG22 VAL A 54 11.318 -5.801 5.640 1.00 0.00 H new ATOM 0 HG23 VAL A 54 11.575 -5.653 3.885 1.00 0.00 H new ATOM 784 N ASP A 55 6.619 -5.572 4.977 1.00 0.00 N ATOM 785 CA ASP A 55 5.228 -5.203 4.744 1.00 0.00 C ATOM 786 C ASP A 55 4.973 -3.756 5.154 1.00 0.00 C ATOM 787 O ASP A 55 4.973 -3.428 6.341 1.00 0.00 O ATOM 788 CB ASP A 55 4.294 -6.136 5.516 1.00 0.00 C ATOM 789 CG ASP A 55 4.404 -7.576 5.054 1.00 0.00 C ATOM 790 OD1 ASP A 55 4.007 -7.863 3.905 1.00 0.00 O ATOM 791 OD2 ASP A 55 4.887 -8.416 5.841 1.00 0.00 O ATOM 0 H ASP A 55 6.856 -5.724 5.957 1.00 0.00 H new ATOM 0 HA ASP A 55 5.027 -5.301 3.677 1.00 0.00 H new ATOM 0 HB2 ASP A 55 4.526 -6.080 6.579 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.265 -5.796 5.396 1.00 0.00 H new ATOM 796 N ILE A 56 4.759 -2.895 4.165 1.00 0.00 N ATOM 797 CA ILE A 56 4.503 -1.483 4.424 1.00 0.00 C ATOM 798 C ILE A 56 3.018 -1.226 4.653 1.00 0.00 C ATOM 799 O ILE A 56 2.188 -1.502 3.787 1.00 0.00 O ATOM 800 CB ILE A 56 4.992 -0.600 3.260 1.00 0.00 C ATOM 801 CG1 ILE A 56 6.356 -1.082 2.763 1.00 0.00 C ATOM 802 CG2 ILE A 56 5.064 0.856 3.695 1.00 0.00 C ATOM 803 CD1 ILE A 56 7.441 -1.014 3.816 1.00 0.00 C ATOM 0 H ILE A 56 4.758 -3.150 3.177 1.00 0.00 H new ATOM 0 HA ILE A 56 5.057 -1.222 5.326 1.00 0.00 H new ATOM 0 HB ILE A 56 4.280 -0.679 2.439 1.00 0.00 H new ATOM 0 HG12 ILE A 56 6.264 -2.110 2.414 1.00 0.00 H new ATOM 0 HG13 ILE A 56 6.655 -0.479 1.905 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.411 1.468 2.862 1.00 0.00 H new ATOM 0 HG22 ILE A 56 4.075 1.192 4.005 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.758 0.952 4.530 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.380 -1.371 3.394 1.00 0.00 H new ATOM 0 HD12 ILE A 56 7.561 0.017 4.149 1.00 0.00 H new ATOM 0 HD13 ILE A 56 7.164 -1.639 4.665 1.00 0.00 H new ATOM 815 N PHE A 57 2.689 -0.695 5.826 1.00 0.00 N ATOM 816 CA PHE A 57 1.303 -0.399 6.170 1.00 0.00 C ATOM 817 C PHE A 57 1.099 1.101 6.364 1.00 0.00 C ATOM 818 O PHE A 57 2.039 1.831 6.679 1.00 0.00 O ATOM 819 CB PHE A 57 0.900 -1.149 7.442 1.00 0.00 C ATOM 820 CG PHE A 57 1.048 -2.639 7.331 1.00 0.00 C ATOM 821 CD1 PHE A 57 2.248 -3.255 7.650 1.00 0.00 C ATOM 822 CD2 PHE A 57 -0.012 -3.424 6.908 1.00 0.00 C ATOM 823 CE1 PHE A 57 2.387 -4.626 7.550 1.00 0.00 C ATOM 824 CE2 PHE A 57 0.122 -4.796 6.806 1.00 0.00 C ATOM 825 CZ PHE A 57 1.323 -5.398 7.126 1.00 0.00 C ATOM 0 H PHE A 57 3.363 -0.461 6.555 1.00 0.00 H new ATOM 0 HA PHE A 57 0.671 -0.730 5.346 1.00 0.00 H new ATOM 0 HB2 PHE A 57 1.509 -0.792 8.273 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.137 -0.912 7.681 1.00 0.00 H new ATOM 0 HD1 PHE A 57 3.084 -2.656 7.981 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -0.953 -2.959 6.655 1.00 0.00 H new ATOM 0 HE1 PHE A 57 3.327 -5.094 7.803 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.712 -5.397 6.476 1.00 0.00 H new ATOM 0 HZ PHE A 57 1.430 -6.470 7.045 1.00 0.00 H new ATOM 835 N VAL A 58 -0.136 1.553 6.173 1.00 0.00 N ATOM 836 CA VAL A 58 -0.465 2.965 6.327 1.00 0.00 C ATOM 837 C VAL A 58 -0.718 3.314 7.790 1.00 0.00 C ATOM 838 O VAL A 58 -1.685 2.848 8.393 1.00 0.00 O ATOM 839 CB VAL A 58 -1.706 3.346 5.498 1.00 0.00 C ATOM 840 CG1 VAL A 58 -2.107 4.788 5.767 1.00 0.00 C ATOM 841 CG2 VAL A 58 -1.445 3.124 4.016 1.00 0.00 C ATOM 0 H VAL A 58 -0.925 0.962 5.911 1.00 0.00 H new ATOM 0 HA VAL A 58 0.393 3.531 5.964 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.533 2.703 5.798 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.985 5.038 5.172 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.338 4.910 6.825 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.285 5.451 5.497 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.332 3.398 3.445 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.604 3.741 3.698 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -1.211 2.074 3.841 1.00 0.00 H new ATOM 851 N LYS A 59 0.157 4.138 8.355 1.00 0.00 N ATOM 852 CA LYS A 59 0.029 4.553 9.747 1.00 0.00 C ATOM 853 C LYS A 59 0.166 6.066 9.879 1.00 0.00 C ATOM 854 O LYS A 59 0.938 6.695 9.155 1.00 0.00 O ATOM 855 CB LYS A 59 1.087 3.858 10.607 1.00 0.00 C ATOM 856 CG LYS A 59 1.033 2.342 10.531 1.00 0.00 C ATOM 857 CD LYS A 59 0.104 1.763 11.585 1.00 0.00 C ATOM 858 CE LYS A 59 -0.500 0.443 11.132 1.00 0.00 C ATOM 859 NZ LYS A 59 -1.566 -0.027 12.060 1.00 0.00 N ATOM 0 H LYS A 59 0.963 4.532 7.870 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.962 4.264 10.096 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.076 4.194 10.294 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.959 4.166 11.645 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.695 2.038 9.540 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.035 1.934 10.664 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.655 1.613 12.514 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.693 2.475 11.799 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.915 0.558 10.131 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.284 -0.312 11.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.952 -0.929 11.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.165 -0.162 13.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.326 0.681 12.103 1.00 0.00 H new ATOM 873 N ASP A 60 -0.587 6.645 10.808 1.00 0.00 N ATOM 874 CA ASP A 60 -0.547 8.085 11.036 1.00 0.00 C ATOM 875 C ASP A 60 -1.287 8.831 9.930 1.00 0.00 C ATOM 876 O ASP A 60 -0.767 9.789 9.358 1.00 0.00 O ATOM 877 CB ASP A 60 0.901 8.571 11.116 1.00 0.00 C ATOM 878 CG ASP A 60 1.047 9.817 11.967 1.00 0.00 C ATOM 879 OD1 ASP A 60 0.431 9.871 13.052 1.00 0.00 O ATOM 880 OD2 ASP A 60 1.778 10.738 11.548 1.00 0.00 O ATOM 0 H ASP A 60 -1.232 6.140 11.415 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.044 8.292 11.984 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.525 7.778 11.528 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.268 8.776 10.111 1.00 0.00 H new ATOM 885 N VAL A 61 -2.503 8.385 9.633 1.00 0.00 N ATOM 886 CA VAL A 61 -3.315 9.010 8.596 1.00 0.00 C ATOM 887 C VAL A 61 -3.896 10.335 9.076 1.00 0.00 C ATOM 888 O VAL A 61 -4.948 10.368 9.713 1.00 0.00 O ATOM 889 CB VAL A 61 -4.467 8.088 8.152 1.00 0.00 C ATOM 890 CG1 VAL A 61 -5.298 8.756 7.067 1.00 0.00 C ATOM 891 CG2 VAL A 61 -3.923 6.751 7.672 1.00 0.00 C ATOM 0 H VAL A 61 -2.948 7.593 10.096 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.657 9.192 7.746 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.114 7.904 9.010 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.107 8.090 6.766 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.718 9.686 7.451 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.666 8.972 6.205 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.750 6.112 7.362 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.253 6.913 6.827 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.376 6.269 8.482 1.00 0.00 H new ATOM 901 N GLN A 62 -3.202 11.426 8.766 1.00 0.00 N ATOM 902 CA GLN A 62 -3.649 12.754 9.166 1.00 0.00 C ATOM 903 C GLN A 62 -4.993 13.092 8.528 1.00 0.00 C ATOM 904 O GLN A 62 -5.208 12.892 7.333 1.00 0.00 O ATOM 905 CB GLN A 62 -2.608 13.805 8.776 1.00 0.00 C ATOM 906 CG GLN A 62 -1.460 13.920 9.766 1.00 0.00 C ATOM 907 CD GLN A 62 -0.728 15.243 9.659 1.00 0.00 C ATOM 908 OE1 GLN A 62 0.456 15.286 9.325 1.00 0.00 O ATOM 909 NE2 GLN A 62 -1.431 16.334 9.943 1.00 0.00 N ATOM 0 H GLN A 62 -2.329 11.416 8.239 1.00 0.00 H new ATOM 0 HA GLN A 62 -3.770 12.757 10.249 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -2.206 13.559 7.793 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -3.098 14.774 8.687 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -1.846 13.803 10.779 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -0.756 13.105 9.597 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -2.410 16.253 10.216 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -0.991 17.253 9.888 1.00 0.00 H new ATOM 918 N PRO A 63 -5.921 13.616 9.343 1.00 0.00 N ATOM 919 CA PRO A 63 -7.260 13.992 8.880 1.00 0.00 C ATOM 920 C PRO A 63 -7.235 15.211 7.964 1.00 0.00 C ATOM 921 O PRO A 63 -8.202 15.487 7.257 1.00 0.00 O ATOM 922 CB PRO A 63 -8.006 14.313 10.177 1.00 0.00 C ATOM 923 CG PRO A 63 -6.940 14.703 11.142 1.00 0.00 C ATOM 924 CD PRO A 63 -5.734 13.881 10.779 1.00 0.00 C ATOM 0 HA PRO A 63 -7.724 13.202 8.289 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -8.723 15.121 10.031 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -8.567 13.450 10.535 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -6.721 15.769 11.073 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -7.251 14.507 12.168 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -4.807 14.421 10.970 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -5.689 12.957 11.356 1.00 0.00 H new ATOM 932 N GLY A 64 -6.121 15.937 7.982 1.00 0.00 N ATOM 933 CA GLY A 64 -5.992 17.118 7.149 1.00 0.00 C ATOM 934 C GLY A 64 -4.907 16.971 6.100 1.00 0.00 C ATOM 935 O GLY A 64 -3.944 17.738 6.082 1.00 0.00 O ATOM 0 H GLY A 64 -5.306 15.728 8.559 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -6.944 17.318 6.657 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -5.771 17.980 7.778 1.00 0.00 H new ATOM 939 N SER A 65 -5.061 15.982 5.225 1.00 0.00 N ATOM 940 CA SER A 65 -4.084 15.734 4.172 1.00 0.00 C ATOM 941 C SER A 65 -4.684 14.870 3.067 1.00 0.00 C ATOM 942 O SER A 65 -5.713 14.222 3.259 1.00 0.00 O ATOM 943 CB SER A 65 -2.842 15.052 4.750 1.00 0.00 C ATOM 944 OG SER A 65 -3.182 14.211 5.838 1.00 0.00 O ATOM 0 H SER A 65 -5.853 15.340 5.225 1.00 0.00 H new ATOM 0 HA SER A 65 -3.797 16.694 3.743 1.00 0.00 H new ATOM 0 HB2 SER A 65 -2.350 14.466 3.973 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.129 15.807 5.079 1.00 0.00 H new ATOM 0 HG SER A 65 -3.068 13.274 5.575 1.00 0.00 H new ATOM 950 N VAL A 66 -4.034 14.867 1.908 1.00 0.00 N ATOM 951 CA VAL A 66 -4.501 14.083 0.771 1.00 0.00 C ATOM 952 C VAL A 66 -5.050 12.734 1.222 1.00 0.00 C ATOM 953 O VAL A 66 -6.216 12.418 0.989 1.00 0.00 O ATOM 954 CB VAL A 66 -3.374 13.851 -0.252 1.00 0.00 C ATOM 955 CG1 VAL A 66 -3.182 15.082 -1.125 1.00 0.00 C ATOM 956 CG2 VAL A 66 -2.079 13.483 0.457 1.00 0.00 C ATOM 0 H VAL A 66 -3.182 15.399 1.732 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.298 14.656 0.297 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.658 13.019 -0.897 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.381 14.899 -1.842 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.107 15.296 -1.661 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.920 15.935 -0.499 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.293 13.323 -0.281 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.788 14.292 1.127 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.227 12.570 1.034 1.00 0.00 H new ATOM 966 N ALA A 67 -4.200 11.943 1.869 1.00 0.00 N ATOM 967 CA ALA A 67 -4.601 10.628 2.355 1.00 0.00 C ATOM 968 C ALA A 67 -6.021 10.657 2.909 1.00 0.00 C ATOM 969 O ALA A 67 -6.784 9.706 2.736 1.00 0.00 O ATOM 970 CB ALA A 67 -3.627 10.140 3.417 1.00 0.00 C ATOM 0 H ALA A 67 -3.231 12.189 2.069 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.582 9.935 1.514 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.938 9.157 3.772 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.627 10.072 2.990 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.618 10.841 4.252 1.00 0.00 H new ATOM 976 N ASP A 68 -6.369 11.752 3.576 1.00 0.00 N ATOM 977 CA ASP A 68 -7.698 11.904 4.155 1.00 0.00 C ATOM 978 C ASP A 68 -8.690 12.411 3.114 1.00 0.00 C ATOM 979 O ASP A 68 -9.750 11.819 2.911 1.00 0.00 O ATOM 980 CB ASP A 68 -7.653 12.864 5.345 1.00 0.00 C ATOM 981 CG ASP A 68 -9.034 13.196 5.874 1.00 0.00 C ATOM 982 OD1 ASP A 68 -9.560 12.413 6.693 1.00 0.00 O ATOM 983 OD2 ASP A 68 -9.588 14.240 5.471 1.00 0.00 O ATOM 0 H ASP A 68 -5.749 12.547 3.729 1.00 0.00 H new ATOM 0 HA ASP A 68 -8.030 10.925 4.500 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -7.058 12.420 6.144 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -7.151 13.784 5.047 1.00 0.00 H new ATOM 988 N ARG A 69 -8.339 13.512 2.457 1.00 0.00 N ATOM 989 CA ARG A 69 -9.200 14.101 1.437 1.00 0.00 C ATOM 990 C ARG A 69 -8.986 13.423 0.087 1.00 0.00 C ATOM 991 O ARG A 69 -9.242 14.013 -0.962 1.00 0.00 O ATOM 992 CB ARG A 69 -8.929 15.601 1.315 1.00 0.00 C ATOM 993 CG ARG A 69 -7.895 15.949 0.257 1.00 0.00 C ATOM 994 CD ARG A 69 -7.096 17.184 0.643 1.00 0.00 C ATOM 995 NE ARG A 69 -6.667 17.946 -0.527 1.00 0.00 N ATOM 996 CZ ARG A 69 -7.467 18.761 -1.207 1.00 0.00 C ATOM 997 NH1 ARG A 69 -8.729 18.919 -0.835 1.00 0.00 N ATOM 998 NH2 ARG A 69 -7.003 19.420 -2.261 1.00 0.00 N ATOM 0 H ARG A 69 -7.465 14.014 2.612 1.00 0.00 H new ATOM 0 HA ARG A 69 -10.236 13.949 1.740 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -9.863 16.112 1.081 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -8.591 15.980 2.280 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -7.218 15.106 0.117 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -8.393 16.120 -0.697 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -7.702 17.821 1.288 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -6.222 16.884 1.221 1.00 0.00 H new ATOM 0 HE ARG A 69 -5.701 17.847 -0.839 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -9.089 18.414 -0.025 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -9.341 19.545 -1.359 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -6.032 19.301 -2.550 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -7.617 20.045 -2.783 1.00 0.00 H new ATOM 1012 N ASP A 70 -8.514 12.181 0.123 1.00 0.00 N ATOM 1013 CA ASP A 70 -8.266 11.423 -1.097 1.00 0.00 C ATOM 1014 C ASP A 70 -9.453 10.525 -1.430 1.00 0.00 C ATOM 1015 O ASP A 70 -10.322 10.293 -0.590 1.00 0.00 O ATOM 1016 CB ASP A 70 -6.998 10.579 -0.950 1.00 0.00 C ATOM 1017 CG ASP A 70 -6.928 9.457 -1.967 1.00 0.00 C ATOM 1018 OD1 ASP A 70 -6.880 9.756 -3.179 1.00 0.00 O ATOM 1019 OD2 ASP A 70 -6.921 8.279 -1.551 1.00 0.00 O ATOM 0 H ASP A 70 -8.296 11.679 0.984 1.00 0.00 H new ATOM 0 HA ASP A 70 -8.129 12.132 -1.914 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -6.123 11.220 -1.060 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -6.960 10.158 0.055 1.00 0.00 H new ATOM 1024 N GLN A 71 -9.484 10.025 -2.662 1.00 0.00 N ATOM 1025 CA GLN A 71 -10.566 9.154 -3.105 1.00 0.00 C ATOM 1026 C GLN A 71 -11.022 8.234 -1.978 1.00 0.00 C ATOM 1027 O GLN A 71 -12.199 8.215 -1.617 1.00 0.00 O ATOM 1028 CB GLN A 71 -10.119 8.323 -4.309 1.00 0.00 C ATOM 1029 CG GLN A 71 -11.270 7.846 -5.180 1.00 0.00 C ATOM 1030 CD GLN A 71 -11.740 8.905 -6.157 1.00 0.00 C ATOM 1031 OE1 GLN A 71 -12.186 9.980 -5.758 1.00 0.00 O ATOM 1032 NE2 GLN A 71 -11.642 8.605 -7.447 1.00 0.00 N ATOM 0 H GLN A 71 -8.773 10.208 -3.370 1.00 0.00 H new ATOM 0 HA GLN A 71 -11.407 9.782 -3.398 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -9.436 8.917 -4.917 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -9.559 7.457 -3.955 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -10.959 6.959 -5.733 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -12.103 7.549 -4.543 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -11.266 7.701 -7.733 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -11.943 9.278 -8.152 1.00 0.00 H new ATOM 1041 N ARG A 72 -10.083 7.474 -1.425 1.00 0.00 N ATOM 1042 CA ARG A 72 -10.389 6.550 -0.339 1.00 0.00 C ATOM 1043 C ARG A 72 -9.117 5.900 0.196 1.00 0.00 C ATOM 1044 O ARG A 72 -8.390 5.232 -0.541 1.00 0.00 O ATOM 1045 CB ARG A 72 -11.363 5.472 -0.817 1.00 0.00 C ATOM 1046 CG ARG A 72 -11.294 4.187 -0.008 1.00 0.00 C ATOM 1047 CD ARG A 72 -12.491 3.290 -0.284 1.00 0.00 C ATOM 1048 NE ARG A 72 -12.781 2.403 0.839 1.00 0.00 N ATOM 1049 CZ ARG A 72 -13.679 1.426 0.791 1.00 0.00 C ATOM 1050 NH1 ARG A 72 -14.371 1.211 -0.319 1.00 0.00 N ATOM 1051 NH2 ARG A 72 -13.886 0.660 1.855 1.00 0.00 N ATOM 0 H ARG A 72 -9.104 7.480 -1.711 1.00 0.00 H new ATOM 0 HA ARG A 72 -10.853 7.118 0.467 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -12.378 5.866 -0.772 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -11.156 5.245 -1.863 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -10.375 3.653 -0.249 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -11.255 4.426 1.055 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -13.365 3.906 -0.494 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -12.299 2.694 -1.176 1.00 0.00 H new ATOM 0 HE ARG A 72 -12.265 2.541 1.708 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -14.214 1.797 -1.139 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -15.060 0.460 -0.353 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -13.355 0.822 2.711 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -14.576 -0.090 1.817 1.00 0.00 H new ATOM 1065 N LEU A 73 -8.853 6.100 1.483 1.00 0.00 N ATOM 1066 CA LEU A 73 -7.668 5.533 2.118 1.00 0.00 C ATOM 1067 C LEU A 73 -7.879 5.372 3.620 1.00 0.00 C ATOM 1068 O LEU A 73 -8.114 6.348 4.333 1.00 0.00 O ATOM 1069 CB LEU A 73 -6.450 6.421 1.855 1.00 0.00 C ATOM 1070 CG LEU A 73 -5.099 5.708 1.795 1.00 0.00 C ATOM 1071 CD1 LEU A 73 -4.046 6.612 1.174 1.00 0.00 C ATOM 1072 CD2 LEU A 73 -4.670 5.262 3.185 1.00 0.00 C ATOM 0 H LEU A 73 -9.443 6.650 2.107 1.00 0.00 H new ATOM 0 HA LEU A 73 -7.492 4.548 1.687 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -6.604 6.944 0.911 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -6.403 7.180 2.636 1.00 0.00 H new ATOM 0 HG LEU A 73 -5.204 4.823 1.168 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.091 6.088 1.140 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.349 6.881 0.162 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -3.942 7.516 1.775 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.706 4.756 3.124 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -4.582 6.132 3.835 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.414 4.577 3.593 1.00 0.00 H new ATOM 1084 N LYS A 74 -7.792 4.134 4.095 1.00 0.00 N ATOM 1085 CA LYS A 74 -7.970 3.844 5.513 1.00 0.00 C ATOM 1086 C LYS A 74 -6.648 3.435 6.154 1.00 0.00 C ATOM 1087 O LYS A 74 -5.707 3.047 5.463 1.00 0.00 O ATOM 1088 CB LYS A 74 -9.006 2.734 5.701 1.00 0.00 C ATOM 1089 CG LYS A 74 -10.230 2.887 4.815 1.00 0.00 C ATOM 1090 CD LYS A 74 -11.252 3.826 5.435 1.00 0.00 C ATOM 1091 CE LYS A 74 -11.019 5.266 5.004 1.00 0.00 C ATOM 1092 NZ LYS A 74 -11.907 6.213 5.732 1.00 0.00 N ATOM 0 H LYS A 74 -7.599 3.315 3.518 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.326 4.751 6.003 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -8.537 1.772 5.495 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -9.323 2.717 6.744 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -9.929 3.268 3.839 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.685 1.910 4.649 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -12.256 3.516 5.145 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -11.199 3.757 6.522 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.978 5.535 5.182 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.192 5.357 3.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -11.718 7.184 5.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -12.901 5.973 5.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -11.724 6.145 6.753 1.00 0.00 H new ATOM 1106 N GLU A 75 -6.586 3.524 7.479 1.00 0.00 N ATOM 1107 CA GLU A 75 -5.379 3.162 8.213 1.00 0.00 C ATOM 1108 C GLU A 75 -5.099 1.666 8.097 1.00 0.00 C ATOM 1109 O GLU A 75 -5.893 0.918 7.528 1.00 0.00 O ATOM 1110 CB GLU A 75 -5.513 3.553 9.686 1.00 0.00 C ATOM 1111 CG GLU A 75 -4.188 3.597 10.428 1.00 0.00 C ATOM 1112 CD GLU A 75 -4.202 4.569 11.591 1.00 0.00 C ATOM 1113 OE1 GLU A 75 -3.985 5.777 11.359 1.00 0.00 O ATOM 1114 OE2 GLU A 75 -4.431 4.122 12.734 1.00 0.00 O ATOM 0 H GLU A 75 -7.357 3.843 8.066 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.543 3.706 7.775 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.989 4.531 9.751 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.174 2.843 10.183 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.949 2.599 10.796 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.396 3.879 9.734 1.00 0.00 H new ATOM 1121 N ASN A 76 -3.965 1.238 8.640 1.00 0.00 N ATOM 1122 CA ASN A 76 -3.579 -0.168 8.597 1.00 0.00 C ATOM 1123 C ASN A 76 -3.785 -0.746 7.200 1.00 0.00 C ATOM 1124 O ASN A 76 -4.302 -1.852 7.044 1.00 0.00 O ATOM 1125 CB ASN A 76 -4.388 -0.972 9.617 1.00 0.00 C ATOM 1126 CG ASN A 76 -5.883 -0.848 9.396 1.00 0.00 C ATOM 1127 OD1 ASN A 76 -6.520 0.043 10.148 1.00 0.00 O flip ATOM 1128 ND2 ASN A 76 -6.459 -1.545 8.560 1.00 0.00 N flip ATOM 0 H ASN A 76 -3.297 1.844 9.115 1.00 0.00 H new ATOM 0 HA ASN A 76 -2.520 -0.236 8.847 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -4.101 -2.022 9.558 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -4.142 -0.630 10.622 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -5.930 -2.217 8.004 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -7.465 -1.450 8.423 1.00 0.00 H new ATOM 1135 N ASP A 77 -3.375 0.010 6.187 1.00 0.00 N ATOM 1136 CA ASP A 77 -3.512 -0.427 4.803 1.00 0.00 C ATOM 1137 C ASP A 77 -2.159 -0.826 4.222 1.00 0.00 C ATOM 1138 O ASP A 77 -1.324 0.028 3.925 1.00 0.00 O ATOM 1139 CB ASP A 77 -4.137 0.682 3.955 1.00 0.00 C ATOM 1140 CG ASP A 77 -5.646 0.736 4.094 1.00 0.00 C ATOM 1141 OD1 ASP A 77 -6.166 0.239 5.114 1.00 0.00 O ATOM 1142 OD2 ASP A 77 -6.306 1.277 3.182 1.00 0.00 O ATOM 0 H ASP A 77 -2.945 0.928 6.299 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.166 -1.299 4.787 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -3.713 1.642 4.249 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -3.877 0.525 2.908 1.00 0.00 H new ATOM 1147 N GLN A 78 -1.949 -2.129 4.065 1.00 0.00 N ATOM 1148 CA GLN A 78 -0.697 -2.641 3.522 1.00 0.00 C ATOM 1149 C GLN A 78 -0.562 -2.294 2.043 1.00 0.00 C ATOM 1150 O GLN A 78 -1.365 -2.731 1.218 1.00 0.00 O ATOM 1151 CB GLN A 78 -0.615 -4.157 3.712 1.00 0.00 C ATOM 1152 CG GLN A 78 0.799 -4.706 3.625 1.00 0.00 C ATOM 1153 CD GLN A 78 1.201 -5.061 2.207 1.00 0.00 C ATOM 1154 OE1 GLN A 78 0.960 -4.298 1.271 1.00 0.00 O ATOM 1155 NE2 GLN A 78 1.818 -6.226 2.040 1.00 0.00 N ATOM 0 H GLN A 78 -2.630 -2.849 4.306 1.00 0.00 H new ATOM 0 HA GLN A 78 0.123 -2.170 4.063 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -1.037 -4.416 4.683 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -1.232 -4.643 2.956 1.00 0.00 H new ATOM 0 HG2 GLN A 78 1.496 -3.968 4.022 1.00 0.00 H new ATOM 0 HG3 GLN A 78 0.880 -5.592 4.254 1.00 0.00 H new ATOM 0 HE21 GLN A 78 1.998 -6.828 2.844 1.00 0.00 H new ATOM 0 HE22 GLN A 78 2.112 -6.519 1.108 1.00 0.00 H new ATOM 1164 N ILE A 79 0.456 -1.507 1.715 1.00 0.00 N ATOM 1165 CA ILE A 79 0.696 -1.102 0.335 1.00 0.00 C ATOM 1166 C ILE A 79 1.412 -2.201 -0.443 1.00 0.00 C ATOM 1167 O ILE A 79 2.604 -2.440 -0.247 1.00 0.00 O ATOM 1168 CB ILE A 79 1.530 0.190 0.264 1.00 0.00 C ATOM 1169 CG1 ILE A 79 1.007 1.217 1.270 1.00 0.00 C ATOM 1170 CG2 ILE A 79 1.504 0.760 -1.146 1.00 0.00 C ATOM 1171 CD1 ILE A 79 1.466 2.630 0.985 1.00 0.00 C ATOM 0 H ILE A 79 1.129 -1.136 2.386 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.280 -0.919 -0.115 1.00 0.00 H new ATOM 0 HB ILE A 79 2.563 -0.047 0.520 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.083 1.191 1.271 1.00 0.00 H new ATOM 0 HG13 ILE A 79 1.333 0.932 2.270 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.098 1.673 -1.180 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.920 0.030 -1.841 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.476 0.985 -1.428 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.057 3.304 1.738 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.555 2.672 1.013 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.117 2.934 -0.002 1.00 0.00 H new ATOM 1183 N LEU A 80 0.678 -2.865 -1.329 1.00 0.00 N ATOM 1184 CA LEU A 80 1.243 -3.938 -2.140 1.00 0.00 C ATOM 1185 C LEU A 80 2.172 -3.378 -3.212 1.00 0.00 C ATOM 1186 O LEU A 80 3.254 -3.914 -3.452 1.00 0.00 O ATOM 1187 CB LEU A 80 0.126 -4.754 -2.792 1.00 0.00 C ATOM 1188 CG LEU A 80 -0.978 -5.249 -1.856 1.00 0.00 C ATOM 1189 CD1 LEU A 80 -2.040 -6.007 -2.638 1.00 0.00 C ATOM 1190 CD2 LEU A 80 -0.393 -6.126 -0.759 1.00 0.00 C ATOM 0 H LEU A 80 -0.310 -2.679 -1.504 1.00 0.00 H new ATOM 0 HA LEU A 80 1.824 -4.588 -1.485 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.332 -4.147 -3.572 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.574 -5.618 -3.282 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.448 -4.383 -1.389 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.817 -6.352 -1.956 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.480 -5.348 -3.387 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.585 -6.865 -3.133 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.193 -6.469 -0.102 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.103 -6.987 -1.207 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.330 -5.551 -0.180 1.00 0.00 H new ATOM 1202 N ALA A 81 1.743 -2.296 -3.854 1.00 0.00 N ATOM 1203 CA ALA A 81 2.537 -1.661 -4.898 1.00 0.00 C ATOM 1204 C ALA A 81 2.421 -0.142 -4.828 1.00 0.00 C ATOM 1205 O ALA A 81 1.424 0.392 -4.342 1.00 0.00 O ATOM 1206 CB ALA A 81 2.107 -2.164 -6.268 1.00 0.00 C ATOM 0 H ALA A 81 0.849 -1.841 -3.669 1.00 0.00 H new ATOM 0 HA ALA A 81 3.582 -1.927 -4.738 1.00 0.00 H new ATOM 0 HB1 ALA A 81 2.709 -1.681 -7.038 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.249 -3.243 -6.320 1.00 0.00 H new ATOM 0 HB3 ALA A 81 1.055 -1.928 -6.428 1.00 0.00 H new ATOM 1212 N ILE A 82 3.447 0.547 -5.317 1.00 0.00 N ATOM 1213 CA ILE A 82 3.458 2.005 -5.310 1.00 0.00 C ATOM 1214 C ILE A 82 3.852 2.558 -6.676 1.00 0.00 C ATOM 1215 O ILE A 82 4.981 2.374 -7.129 1.00 0.00 O ATOM 1216 CB ILE A 82 4.428 2.555 -4.248 1.00 0.00 C ATOM 1217 CG1 ILE A 82 3.953 2.170 -2.845 1.00 0.00 C ATOM 1218 CG2 ILE A 82 4.550 4.066 -4.374 1.00 0.00 C ATOM 1219 CD1 ILE A 82 5.045 2.233 -1.799 1.00 0.00 C ATOM 0 H ILE A 82 4.280 0.120 -5.722 1.00 0.00 H new ATOM 0 HA ILE A 82 2.445 2.327 -5.068 1.00 0.00 H new ATOM 0 HB ILE A 82 5.412 2.115 -4.413 1.00 0.00 H new ATOM 0 HG12 ILE A 82 3.140 2.834 -2.550 1.00 0.00 H new ATOM 0 HG13 ILE A 82 3.545 1.159 -2.873 1.00 0.00 H new ATOM 0 HG21 ILE A 82 5.239 4.440 -3.617 1.00 0.00 H new ATOM 0 HG22 ILE A 82 4.928 4.319 -5.365 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.571 4.523 -4.231 1.00 0.00 H new ATOM 0 HD11 ILE A 82 4.637 1.948 -0.829 1.00 0.00 H new ATOM 0 HD12 ILE A 82 5.849 1.548 -2.070 1.00 0.00 H new ATOM 0 HD13 ILE A 82 5.437 3.249 -1.743 1.00 0.00 H new ATOM 1231 N ASN A 83 2.913 3.237 -7.326 1.00 0.00 N ATOM 1232 CA ASN A 83 3.162 3.818 -8.641 1.00 0.00 C ATOM 1233 C ASN A 83 3.481 2.733 -9.664 1.00 0.00 C ATOM 1234 O ASN A 83 4.457 2.834 -10.409 1.00 0.00 O ATOM 1235 CB ASN A 83 4.315 4.821 -8.567 1.00 0.00 C ATOM 1236 CG ASN A 83 3.899 6.135 -7.934 1.00 0.00 C ATOM 1237 OD1 ASN A 83 4.404 6.514 -6.877 1.00 0.00 O ATOM 1238 ND2 ASN A 83 2.973 6.836 -8.578 1.00 0.00 N ATOM 0 H ASN A 83 1.973 3.399 -6.964 1.00 0.00 H new ATOM 0 HA ASN A 83 2.258 4.337 -8.959 1.00 0.00 H new ATOM 0 HB2 ASN A 83 5.134 4.387 -7.993 1.00 0.00 H new ATOM 0 HB3 ASN A 83 4.695 5.009 -9.571 1.00 0.00 H new ATOM 0 HD21 ASN A 83 2.653 7.727 -8.199 1.00 0.00 H new ATOM 0 HD22 ASN A 83 2.582 6.483 -9.452 1.00 0.00 H new ATOM 1245 N HIS A 84 2.652 1.694 -9.695 1.00 0.00 N ATOM 1246 CA HIS A 84 2.846 0.590 -10.628 1.00 0.00 C ATOM 1247 C HIS A 84 4.144 -0.153 -10.329 1.00 0.00 C ATOM 1248 O HIS A 84 4.973 -0.360 -11.217 1.00 0.00 O ATOM 1249 CB HIS A 84 2.860 1.106 -12.067 1.00 0.00 C ATOM 1250 CG HIS A 84 2.743 0.022 -13.094 1.00 0.00 C ATOM 1251 ND1 HIS A 84 1.608 -0.745 -13.253 1.00 0.00 N ATOM 1252 CD2 HIS A 84 3.627 -0.421 -14.018 1.00 0.00 C ATOM 1253 CE1 HIS A 84 1.800 -1.613 -14.230 1.00 0.00 C ATOM 1254 NE2 HIS A 84 3.017 -1.437 -14.711 1.00 0.00 N ATOM 0 H HIS A 84 1.840 1.594 -9.085 1.00 0.00 H new ATOM 0 HA HIS A 84 2.015 -0.104 -10.507 1.00 0.00 H new ATOM 0 HB2 HIS A 84 2.039 1.811 -12.199 1.00 0.00 H new ATOM 0 HB3 HIS A 84 3.784 1.658 -12.237 1.00 0.00 H new ATOM 0 HD2 HIS A 84 4.626 -0.045 -14.180 1.00 0.00 H new ATOM 0 HE1 HIS A 84 1.083 -2.343 -14.577 1.00 0.00 H new ATOM 0 HE2 HIS A 84 3.436 -1.969 -15.474 1.00 0.00 H new ATOM 1263 N THR A 85 4.317 -0.552 -9.073 1.00 0.00 N ATOM 1264 CA THR A 85 5.515 -1.270 -8.656 1.00 0.00 C ATOM 1265 C THR A 85 5.284 -2.009 -7.343 1.00 0.00 C ATOM 1266 O THR A 85 5.073 -1.405 -6.291 1.00 0.00 O ATOM 1267 CB THR A 85 6.712 -0.315 -8.491 1.00 0.00 C ATOM 1268 OG1 THR A 85 7.235 0.042 -9.775 1.00 0.00 O ATOM 1269 CG2 THR A 85 7.807 -0.960 -7.653 1.00 0.00 C ATOM 0 H THR A 85 3.642 -0.390 -8.326 1.00 0.00 H new ATOM 0 HA THR A 85 5.741 -1.992 -9.441 1.00 0.00 H new ATOM 0 HB THR A 85 6.365 0.582 -7.979 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.551 -0.108 -10.460 1.00 0.00 H new ATOM 0 HG21 THR A 85 8.642 -0.267 -7.550 1.00 0.00 H new ATOM 0 HG22 THR A 85 7.414 -1.204 -6.666 1.00 0.00 H new ATOM 0 HG23 THR A 85 8.150 -1.872 -8.142 1.00 0.00 H new ATOM 1277 N PRO A 86 5.325 -3.348 -7.402 1.00 0.00 N ATOM 1278 CA PRO A 86 5.124 -4.199 -6.225 1.00 0.00 C ATOM 1279 C PRO A 86 6.284 -4.109 -5.240 1.00 0.00 C ATOM 1280 O PRO A 86 7.444 -3.996 -5.638 1.00 0.00 O ATOM 1281 CB PRO A 86 5.034 -5.608 -6.817 1.00 0.00 C ATOM 1282 CG PRO A 86 5.788 -5.529 -8.100 1.00 0.00 C ATOM 1283 CD PRO A 86 5.572 -4.135 -8.622 1.00 0.00 C ATOM 0 HA PRO A 86 4.243 -3.904 -5.655 1.00 0.00 H new ATOM 0 HB2 PRO A 86 5.471 -6.348 -6.146 1.00 0.00 H new ATOM 0 HB3 PRO A 86 3.998 -5.902 -6.984 1.00 0.00 H new ATOM 0 HG2 PRO A 86 6.848 -5.727 -7.942 1.00 0.00 H new ATOM 0 HG3 PRO A 86 5.427 -6.272 -8.811 1.00 0.00 H new ATOM 0 HD2 PRO A 86 6.443 -3.770 -9.166 1.00 0.00 H new ATOM 0 HD3 PRO A 86 4.726 -4.089 -9.308 1.00 0.00 H new ATOM 1291 N LEU A 87 5.964 -4.160 -3.951 1.00 0.00 N ATOM 1292 CA LEU A 87 6.981 -4.085 -2.907 1.00 0.00 C ATOM 1293 C LEU A 87 7.334 -5.476 -2.390 1.00 0.00 C ATOM 1294 O LEU A 87 7.505 -5.677 -1.187 1.00 0.00 O ATOM 1295 CB LEU A 87 6.491 -3.209 -1.753 1.00 0.00 C ATOM 1296 CG LEU A 87 5.594 -2.031 -2.139 1.00 0.00 C ATOM 1297 CD1 LEU A 87 5.352 -1.129 -0.938 1.00 0.00 C ATOM 1298 CD2 LEU A 87 6.213 -1.243 -3.284 1.00 0.00 C ATOM 0 H LEU A 87 5.009 -4.253 -3.604 1.00 0.00 H new ATOM 0 HA LEU A 87 7.877 -3.639 -3.338 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.946 -3.840 -1.050 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.361 -2.820 -1.224 1.00 0.00 H new ATOM 0 HG LEU A 87 4.633 -2.424 -2.472 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.712 -0.297 -1.231 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.866 -1.699 -0.147 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.305 -0.744 -0.574 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.562 -0.409 -3.546 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.187 -0.861 -2.978 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.334 -1.894 -4.150 1.00 0.00 H new ATOM 1310 N ASP A 88 7.444 -6.432 -3.306 1.00 0.00 N ATOM 1311 CA ASP A 88 7.780 -7.804 -2.943 1.00 0.00 C ATOM 1312 C ASP A 88 9.267 -7.933 -2.626 1.00 0.00 C ATOM 1313 O ASP A 88 9.995 -6.941 -2.607 1.00 0.00 O ATOM 1314 CB ASP A 88 7.402 -8.761 -4.074 1.00 0.00 C ATOM 1315 CG ASP A 88 8.227 -8.532 -5.326 1.00 0.00 C ATOM 1316 OD1 ASP A 88 8.511 -7.357 -5.643 1.00 0.00 O ATOM 1317 OD2 ASP A 88 8.589 -9.527 -5.988 1.00 0.00 O ATOM 0 H ASP A 88 7.305 -6.282 -4.305 1.00 0.00 H new ATOM 0 HA ASP A 88 7.212 -8.067 -2.051 1.00 0.00 H new ATOM 0 HB2 ASP A 88 7.536 -9.789 -3.737 1.00 0.00 H new ATOM 0 HB3 ASP A 88 6.345 -8.639 -4.311 1.00 0.00 H new ATOM 1322 N GLN A 89 9.709 -9.161 -2.377 1.00 0.00 N ATOM 1323 CA GLN A 89 11.108 -9.419 -2.059 1.00 0.00 C ATOM 1324 C GLN A 89 12.024 -8.471 -2.826 1.00 0.00 C ATOM 1325 O GLN A 89 12.985 -7.937 -2.273 1.00 0.00 O ATOM 1326 CB GLN A 89 11.468 -10.869 -2.384 1.00 0.00 C ATOM 1327 CG GLN A 89 11.615 -11.141 -3.872 1.00 0.00 C ATOM 1328 CD GLN A 89 12.109 -12.544 -4.163 1.00 0.00 C ATOM 1329 OE1 GLN A 89 13.289 -12.753 -4.449 1.00 0.00 O ATOM 1330 NE2 GLN A 89 11.207 -13.516 -4.092 1.00 0.00 N ATOM 0 H GLN A 89 9.119 -9.993 -2.389 1.00 0.00 H new ATOM 0 HA GLN A 89 11.249 -9.248 -0.992 1.00 0.00 H new ATOM 0 HB2 GLN A 89 12.402 -11.124 -1.883 1.00 0.00 H new ATOM 0 HB3 GLN A 89 10.699 -11.525 -1.978 1.00 0.00 H new ATOM 0 HG2 GLN A 89 10.653 -10.990 -4.362 1.00 0.00 H new ATOM 0 HG3 GLN A 89 12.309 -10.419 -4.303 1.00 0.00 H new ATOM 0 HE21 GLN A 89 10.240 -13.298 -3.852 1.00 0.00 H new ATOM 0 HE22 GLN A 89 11.481 -14.481 -4.278 1.00 0.00 H new ATOM 1339 N ASN A 90 11.720 -8.267 -4.104 1.00 0.00 N ATOM 1340 CA ASN A 90 12.517 -7.384 -4.948 1.00 0.00 C ATOM 1341 C ASN A 90 12.748 -6.040 -4.263 1.00 0.00 C ATOM 1342 O ASN A 90 13.886 -5.591 -4.124 1.00 0.00 O ATOM 1343 CB ASN A 90 11.825 -7.171 -6.295 1.00 0.00 C ATOM 1344 CG ASN A 90 11.966 -8.370 -7.213 1.00 0.00 C ATOM 1345 OD1 ASN A 90 12.087 -9.506 -6.755 1.00 0.00 O ATOM 1346 ND2 ASN A 90 11.950 -8.121 -8.518 1.00 0.00 N ATOM 0 H ASN A 90 10.928 -8.701 -4.578 1.00 0.00 H new ATOM 0 HA ASN A 90 13.485 -7.857 -5.115 1.00 0.00 H new ATOM 0 HB2 ASN A 90 10.767 -6.966 -6.129 1.00 0.00 H new ATOM 0 HB3 ASN A 90 12.247 -6.292 -6.782 1.00 0.00 H new ATOM 0 HD21 ASN A 90 12.040 -8.888 -9.185 1.00 0.00 H new ATOM 0 HD22 ASN A 90 11.848 -7.163 -8.853 1.00 0.00 H new ATOM 1353 N ILE A 91 11.662 -5.405 -3.839 1.00 0.00 N ATOM 1354 CA ILE A 91 11.746 -4.113 -3.168 1.00 0.00 C ATOM 1355 C ILE A 91 11.627 -4.271 -1.656 1.00 0.00 C ATOM 1356 O ILE A 91 10.866 -5.104 -1.166 1.00 0.00 O ATOM 1357 CB ILE A 91 10.649 -3.150 -3.660 1.00 0.00 C ATOM 1358 CG1 ILE A 91 11.138 -2.366 -4.879 1.00 0.00 C ATOM 1359 CG2 ILE A 91 10.237 -2.202 -2.544 1.00 0.00 C ATOM 1360 CD1 ILE A 91 10.152 -1.326 -5.363 1.00 0.00 C ATOM 0 H ILE A 91 10.713 -5.763 -3.948 1.00 0.00 H new ATOM 0 HA ILE A 91 12.722 -3.693 -3.412 1.00 0.00 H new ATOM 0 HB ILE A 91 9.777 -3.735 -3.953 1.00 0.00 H new ATOM 0 HG12 ILE A 91 12.079 -1.875 -4.632 1.00 0.00 H new ATOM 0 HG13 ILE A 91 11.346 -3.064 -5.690 1.00 0.00 H new ATOM 0 HG21 ILE A 91 9.461 -1.528 -2.907 1.00 0.00 H new ATOM 0 HG22 ILE A 91 9.853 -2.777 -1.701 1.00 0.00 H new ATOM 0 HG23 ILE A 91 11.101 -1.621 -2.223 1.00 0.00 H new ATOM 0 HD11 ILE A 91 10.565 -0.809 -6.229 1.00 0.00 H new ATOM 0 HD12 ILE A 91 9.217 -1.813 -5.642 1.00 0.00 H new ATOM 0 HD13 ILE A 91 9.963 -0.606 -4.567 1.00 0.00 H new ATOM 1372 N SER A 92 12.385 -3.463 -0.921 1.00 0.00 N ATOM 1373 CA SER A 92 12.367 -3.514 0.536 1.00 0.00 C ATOM 1374 C SER A 92 11.506 -2.391 1.108 1.00 0.00 C ATOM 1375 O SER A 92 10.866 -1.645 0.367 1.00 0.00 O ATOM 1376 CB SER A 92 13.790 -3.412 1.089 1.00 0.00 C ATOM 1377 OG SER A 92 14.398 -4.690 1.169 1.00 0.00 O ATOM 0 H SER A 92 13.019 -2.766 -1.311 1.00 0.00 H new ATOM 0 HA SER A 92 11.936 -4.469 0.836 1.00 0.00 H new ATOM 0 HB2 SER A 92 14.386 -2.761 0.450 1.00 0.00 H new ATOM 0 HB3 SER A 92 13.768 -2.954 2.078 1.00 0.00 H new ATOM 0 HG SER A 92 15.307 -4.598 1.524 1.00 0.00 H new ATOM 1383 N HIS A 93 11.496 -2.278 2.433 1.00 0.00 N ATOM 1384 CA HIS A 93 10.715 -1.246 3.106 1.00 0.00 C ATOM 1385 C HIS A 93 11.237 0.145 2.758 1.00 0.00 C ATOM 1386 O HIS A 93 10.460 1.064 2.505 1.00 0.00 O ATOM 1387 CB HIS A 93 10.753 -1.454 4.620 1.00 0.00 C ATOM 1388 CG HIS A 93 11.883 -0.739 5.295 1.00 0.00 C ATOM 1389 ND1 HIS A 93 12.055 0.572 5.581 1.00 0.00 N flip ATOM 1390 CD2 HIS A 93 13.010 -1.383 5.759 1.00 0.00 C flip ATOM 1391 CE1 HIS A 93 13.271 0.696 6.208 1.00 0.00 C flip ATOM 1392 NE2 HIS A 93 13.827 -0.498 6.303 1.00 0.00 N flip ATOM 0 H HIS A 93 12.019 -2.888 3.061 1.00 0.00 H new ATOM 0 HA HIS A 93 9.684 -1.324 2.762 1.00 0.00 H new ATOM 0 HB2 HIS A 93 9.811 -1.113 5.049 1.00 0.00 H new ATOM 0 HB3 HIS A 93 10.832 -2.521 4.830 1.00 0.00 H new ATOM 0 HD2 HIS A 93 13.196 -2.445 5.689 1.00 0.00 H new ATOM 0 HE1 HIS A 93 13.702 1.620 6.565 1.00 0.00 H new ATOM 0 HE2 HIS A 93 14.733 -0.702 6.725 1.00 0.00 H new ATOM 1401 N GLN A 94 12.559 0.290 2.750 1.00 0.00 N ATOM 1402 CA GLN A 94 13.184 1.569 2.436 1.00 0.00 C ATOM 1403 C GLN A 94 12.713 2.086 1.080 1.00 0.00 C ATOM 1404 O GLN A 94 12.192 3.197 0.977 1.00 0.00 O ATOM 1405 CB GLN A 94 14.707 1.431 2.441 1.00 0.00 C ATOM 1406 CG GLN A 94 15.259 0.833 3.725 1.00 0.00 C ATOM 1407 CD GLN A 94 16.658 0.273 3.554 1.00 0.00 C ATOM 1408 OE1 GLN A 94 17.220 0.301 2.459 1.00 0.00 O ATOM 1409 NE2 GLN A 94 17.228 -0.238 4.638 1.00 0.00 N ATOM 0 H GLN A 94 13.217 -0.462 2.957 1.00 0.00 H new ATOM 0 HA GLN A 94 12.889 2.287 3.201 1.00 0.00 H new ATOM 0 HB2 GLN A 94 15.010 0.807 1.600 1.00 0.00 H new ATOM 0 HB3 GLN A 94 15.153 2.413 2.286 1.00 0.00 H new ATOM 0 HG2 GLN A 94 15.270 1.598 4.502 1.00 0.00 H new ATOM 0 HG3 GLN A 94 14.594 0.040 4.067 1.00 0.00 H new ATOM 0 HE21 GLN A 94 16.725 -0.240 5.526 1.00 0.00 H new ATOM 0 HE22 GLN A 94 18.169 -0.628 4.584 1.00 0.00 H new ATOM 1418 N GLN A 95 12.901 1.275 0.045 1.00 0.00 N ATOM 1419 CA GLN A 95 12.496 1.652 -1.304 1.00 0.00 C ATOM 1420 C GLN A 95 11.055 2.150 -1.321 1.00 0.00 C ATOM 1421 O GLN A 95 10.761 3.211 -1.870 1.00 0.00 O ATOM 1422 CB GLN A 95 12.649 0.464 -2.256 1.00 0.00 C ATOM 1423 CG GLN A 95 14.010 0.395 -2.929 1.00 0.00 C ATOM 1424 CD GLN A 95 14.280 -0.956 -3.563 1.00 0.00 C ATOM 1425 OE1 GLN A 95 14.345 -1.975 -2.875 1.00 0.00 O ATOM 1426 NE2 GLN A 95 14.438 -0.971 -4.881 1.00 0.00 N ATOM 0 H GLN A 95 13.331 0.353 0.114 1.00 0.00 H new ATOM 0 HA GLN A 95 13.145 2.462 -1.638 1.00 0.00 H new ATOM 0 HB2 GLN A 95 12.480 -0.459 -1.702 1.00 0.00 H new ATOM 0 HB3 GLN A 95 11.876 0.522 -3.023 1.00 0.00 H new ATOM 0 HG2 GLN A 95 14.073 1.170 -3.693 1.00 0.00 H new ATOM 0 HG3 GLN A 95 14.786 0.609 -2.194 1.00 0.00 H new ATOM 0 HE21 GLN A 95 14.376 -0.102 -5.412 1.00 0.00 H new ATOM 0 HE22 GLN A 95 14.621 -1.851 -5.363 1.00 0.00 H new ATOM 1435 N ALA A 96 10.159 1.376 -0.715 1.00 0.00 N ATOM 1436 CA ALA A 96 8.749 1.740 -0.659 1.00 0.00 C ATOM 1437 C ALA A 96 8.573 3.186 -0.209 1.00 0.00 C ATOM 1438 O ALA A 96 7.789 3.936 -0.792 1.00 0.00 O ATOM 1439 CB ALA A 96 7.998 0.800 0.272 1.00 0.00 C ATOM 0 H ALA A 96 10.385 0.493 -0.256 1.00 0.00 H new ATOM 0 HA ALA A 96 8.335 1.647 -1.663 1.00 0.00 H new ATOM 0 HB1 ALA A 96 6.946 1.084 0.304 1.00 0.00 H new ATOM 0 HB2 ALA A 96 8.087 -0.223 -0.094 1.00 0.00 H new ATOM 0 HB3 ALA A 96 8.422 0.865 1.274 1.00 0.00 H new ATOM 1445 N ILE A 97 9.304 3.571 0.831 1.00 0.00 N ATOM 1446 CA ILE A 97 9.228 4.927 1.359 1.00 0.00 C ATOM 1447 C ILE A 97 9.678 5.948 0.318 1.00 0.00 C ATOM 1448 O ILE A 97 9.026 6.972 0.117 1.00 0.00 O ATOM 1449 CB ILE A 97 10.090 5.088 2.625 1.00 0.00 C ATOM 1450 CG1 ILE A 97 9.708 4.033 3.665 1.00 0.00 C ATOM 1451 CG2 ILE A 97 9.931 6.488 3.199 1.00 0.00 C ATOM 1452 CD1 ILE A 97 10.385 4.231 5.003 1.00 0.00 C ATOM 0 H ILE A 97 9.956 2.962 1.325 1.00 0.00 H new ATOM 0 HA ILE A 97 8.184 5.108 1.615 1.00 0.00 H new ATOM 0 HB ILE A 97 11.136 4.944 2.356 1.00 0.00 H new ATOM 0 HG12 ILE A 97 8.627 4.050 3.808 1.00 0.00 H new ATOM 0 HG13 ILE A 97 9.964 3.046 3.280 1.00 0.00 H new ATOM 0 HG21 ILE A 97 10.546 6.587 4.093 1.00 0.00 H new ATOM 0 HG22 ILE A 97 10.247 7.223 2.459 1.00 0.00 H new ATOM 0 HG23 ILE A 97 8.886 6.659 3.457 1.00 0.00 H new ATOM 0 HD11 ILE A 97 10.068 3.447 5.691 1.00 0.00 H new ATOM 0 HD12 ILE A 97 11.466 4.185 4.874 1.00 0.00 H new ATOM 0 HD13 ILE A 97 10.109 5.204 5.410 1.00 0.00 H new ATOM 1464 N ALA A 98 10.795 5.659 -0.341 1.00 0.00 N ATOM 1465 CA ALA A 98 11.330 6.549 -1.363 1.00 0.00 C ATOM 1466 C ALA A 98 10.299 6.815 -2.454 1.00 0.00 C ATOM 1467 O ALA A 98 9.917 7.961 -2.696 1.00 0.00 O ATOM 1468 CB ALA A 98 12.598 5.961 -1.965 1.00 0.00 C ATOM 0 H ALA A 98 11.347 4.815 -0.185 1.00 0.00 H new ATOM 0 HA ALA A 98 11.573 7.500 -0.889 1.00 0.00 H new ATOM 0 HB1 ALA A 98 12.986 6.637 -2.727 1.00 0.00 H new ATOM 0 HB2 ALA A 98 13.345 5.829 -1.182 1.00 0.00 H new ATOM 0 HB3 ALA A 98 12.372 4.995 -2.418 1.00 0.00 H new ATOM 1474 N LEU A 99 9.851 5.751 -3.111 1.00 0.00 N ATOM 1475 CA LEU A 99 8.863 5.869 -4.178 1.00 0.00 C ATOM 1476 C LEU A 99 7.809 6.916 -3.830 1.00 0.00 C ATOM 1477 O LEU A 99 7.239 7.555 -4.715 1.00 0.00 O ATOM 1478 CB LEU A 99 8.192 4.518 -4.430 1.00 0.00 C ATOM 1479 CG LEU A 99 9.129 3.354 -4.754 1.00 0.00 C ATOM 1480 CD1 LEU A 99 8.351 2.049 -4.835 1.00 0.00 C ATOM 1481 CD2 LEU A 99 9.874 3.614 -6.055 1.00 0.00 C ATOM 0 H LEU A 99 10.156 4.796 -2.924 1.00 0.00 H new ATOM 0 HA LEU A 99 9.379 6.186 -5.084 1.00 0.00 H new ATOM 0 HB2 LEU A 99 7.609 4.254 -3.548 1.00 0.00 H new ATOM 0 HB3 LEU A 99 7.488 4.632 -5.255 1.00 0.00 H new ATOM 0 HG LEU A 99 9.861 3.268 -3.951 1.00 0.00 H new ATOM 0 HD11 LEU A 99 9.034 1.232 -5.066 1.00 0.00 H new ATOM 0 HD12 LEU A 99 7.864 1.856 -3.879 1.00 0.00 H new ATOM 0 HD13 LEU A 99 7.596 2.123 -5.618 1.00 0.00 H new ATOM 0 HD21 LEU A 99 10.536 2.775 -6.269 1.00 0.00 H new ATOM 0 HD22 LEU A 99 9.157 3.727 -6.868 1.00 0.00 H new ATOM 0 HD23 LEU A 99 10.463 4.526 -5.961 1.00 0.00 H new ATOM 1493 N LEU A 100 7.558 7.088 -2.537 1.00 0.00 N ATOM 1494 CA LEU A 100 6.574 8.059 -2.071 1.00 0.00 C ATOM 1495 C LEU A 100 7.196 9.446 -1.944 1.00 0.00 C ATOM 1496 O LEU A 100 6.805 10.378 -2.645 1.00 0.00 O ATOM 1497 CB LEU A 100 5.994 7.622 -0.725 1.00 0.00 C ATOM 1498 CG LEU A 100 5.486 6.182 -0.649 1.00 0.00 C ATOM 1499 CD1 LEU A 100 5.566 5.663 0.778 1.00 0.00 C ATOM 1500 CD2 LEU A 100 4.060 6.091 -1.172 1.00 0.00 C ATOM 0 H LEU A 100 8.022 6.568 -1.792 1.00 0.00 H new ATOM 0 HA LEU A 100 5.771 8.107 -2.806 1.00 0.00 H new ATOM 0 HB2 LEU A 100 6.760 7.757 0.039 1.00 0.00 H new ATOM 0 HB3 LEU A 100 5.171 8.290 -0.473 1.00 0.00 H new ATOM 0 HG LEU A 100 6.123 5.559 -1.277 1.00 0.00 H new ATOM 0 HD11 LEU A 100 5.200 4.637 0.813 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.601 5.691 1.118 1.00 0.00 H new ATOM 0 HD13 LEU A 100 4.954 6.289 1.428 1.00 0.00 H new ATOM 0 HD21 LEU A 100 3.715 5.059 -1.110 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.411 6.727 -0.571 1.00 0.00 H new ATOM 0 HD23 LEU A 100 4.031 6.422 -2.210 1.00 0.00 H new ATOM 1512 N GLN A 101 8.168 9.573 -1.046 1.00 0.00 N ATOM 1513 CA GLN A 101 8.845 10.845 -0.829 1.00 0.00 C ATOM 1514 C GLN A 101 9.501 11.340 -2.114 1.00 0.00 C ATOM 1515 O GLN A 101 9.946 12.484 -2.193 1.00 0.00 O ATOM 1516 CB GLN A 101 9.897 10.706 0.273 1.00 0.00 C ATOM 1517 CG GLN A 101 9.345 10.146 1.574 1.00 0.00 C ATOM 1518 CD GLN A 101 10.270 10.384 2.751 1.00 0.00 C ATOM 1519 OE1 GLN A 101 11.380 10.892 2.590 1.00 0.00 O ATOM 1520 NE2 GLN A 101 9.817 10.016 3.944 1.00 0.00 N ATOM 0 H GLN A 101 8.504 8.810 -0.458 1.00 0.00 H new ATOM 0 HA GLN A 101 8.098 11.576 -0.519 1.00 0.00 H new ATOM 0 HB2 GLN A 101 10.698 10.057 -0.081 1.00 0.00 H new ATOM 0 HB3 GLN A 101 10.340 11.683 0.467 1.00 0.00 H new ATOM 0 HG2 GLN A 101 8.377 10.602 1.780 1.00 0.00 H new ATOM 0 HG3 GLN A 101 9.175 9.075 1.461 1.00 0.00 H new ATOM 0 HE21 GLN A 101 8.890 9.599 4.031 1.00 0.00 H new ATOM 0 HE22 GLN A 101 10.396 10.151 4.773 1.00 0.00 H new ATOM 1529 N GLN A 102 9.556 10.470 -3.117 1.00 0.00 N ATOM 1530 CA GLN A 102 10.158 10.819 -4.398 1.00 0.00 C ATOM 1531 C GLN A 102 9.086 11.134 -5.436 1.00 0.00 C ATOM 1532 O GLN A 102 9.003 12.255 -5.938 1.00 0.00 O ATOM 1533 CB GLN A 102 11.047 9.677 -4.896 1.00 0.00 C ATOM 1534 CG GLN A 102 12.382 9.587 -4.175 1.00 0.00 C ATOM 1535 CD GLN A 102 13.442 8.878 -4.995 1.00 0.00 C ATOM 1536 OE1 GLN A 102 14.424 9.486 -5.421 1.00 0.00 O ATOM 1537 NE2 GLN A 102 13.248 7.584 -5.221 1.00 0.00 N ATOM 0 H GLN A 102 9.191 9.519 -3.067 1.00 0.00 H new ATOM 0 HA GLN A 102 10.770 11.709 -4.253 1.00 0.00 H new ATOM 0 HB2 GLN A 102 10.514 8.734 -4.776 1.00 0.00 H new ATOM 0 HB3 GLN A 102 11.228 9.807 -5.963 1.00 0.00 H new ATOM 0 HG2 GLN A 102 12.728 10.592 -3.932 1.00 0.00 H new ATOM 0 HG3 GLN A 102 12.246 9.060 -3.231 1.00 0.00 H new ATOM 0 HE21 GLN A 102 12.420 7.120 -4.849 1.00 0.00 H new ATOM 0 HE22 GLN A 102 13.927 7.054 -5.767 1.00 0.00 H new ATOM 1546 N THR A 103 8.266 10.136 -5.754 1.00 0.00 N ATOM 1547 CA THR A 103 7.200 10.306 -6.733 1.00 0.00 C ATOM 1548 C THR A 103 6.635 11.721 -6.691 1.00 0.00 C ATOM 1549 O THR A 103 6.381 12.268 -5.617 1.00 0.00 O ATOM 1550 CB THR A 103 6.057 9.302 -6.498 1.00 0.00 C ATOM 1551 OG1 THR A 103 6.411 8.022 -7.033 1.00 0.00 O ATOM 1552 CG2 THR A 103 4.768 9.788 -7.145 1.00 0.00 C ATOM 0 H THR A 103 8.320 9.202 -5.347 1.00 0.00 H new ATOM 0 HA THR A 103 7.639 10.122 -7.714 1.00 0.00 H new ATOM 0 HB THR A 103 5.896 9.214 -5.424 1.00 0.00 H new ATOM 0 HG1 THR A 103 5.661 7.402 -6.921 1.00 0.00 H new ATOM 0 HG21 THR A 103 3.975 9.062 -6.966 1.00 0.00 H new ATOM 0 HG22 THR A 103 4.485 10.749 -6.715 1.00 0.00 H new ATOM 0 HG23 THR A 103 4.920 9.902 -8.218 1.00 0.00 H new ATOM 1560 N THR A 104 6.440 12.311 -7.866 1.00 0.00 N ATOM 1561 CA THR A 104 5.905 13.663 -7.963 1.00 0.00 C ATOM 1562 C THR A 104 4.674 13.705 -8.862 1.00 0.00 C ATOM 1563 O THR A 104 4.566 12.939 -9.819 1.00 0.00 O ATOM 1564 CB THR A 104 6.958 14.646 -8.509 1.00 0.00 C ATOM 1565 OG1 THR A 104 8.258 14.288 -8.027 1.00 0.00 O ATOM 1566 CG2 THR A 104 6.633 16.073 -8.093 1.00 0.00 C ATOM 0 H THR A 104 6.645 11.873 -8.764 1.00 0.00 H new ATOM 0 HA THR A 104 5.625 13.965 -6.954 1.00 0.00 H new ATOM 0 HB THR A 104 6.946 14.590 -9.597 1.00 0.00 H new ATOM 0 HG1 THR A 104 8.922 14.917 -8.380 1.00 0.00 H new ATOM 0 HG21 THR A 104 7.390 16.749 -8.490 1.00 0.00 H new ATOM 0 HG22 THR A 104 5.655 16.353 -8.485 1.00 0.00 H new ATOM 0 HG23 THR A 104 6.620 16.141 -7.005 1.00 0.00 H new ATOM 1574 N GLY A 105 3.748 14.606 -8.549 1.00 0.00 N ATOM 1575 CA GLY A 105 2.537 14.730 -9.339 1.00 0.00 C ATOM 1576 C GLY A 105 1.440 13.795 -8.871 1.00 0.00 C ATOM 1577 O GLY A 105 0.629 14.156 -8.018 1.00 0.00 O ATOM 0 H GLY A 105 3.815 15.252 -7.763 1.00 0.00 H new ATOM 0 HA2 GLY A 105 2.179 15.758 -9.290 1.00 0.00 H new ATOM 0 HA3 GLY A 105 2.766 14.522 -10.384 1.00 0.00 H new ATOM 1581 N SER A 106 1.414 12.589 -9.430 1.00 0.00 N ATOM 1582 CA SER A 106 0.405 11.601 -9.068 1.00 0.00 C ATOM 1583 C SER A 106 1.023 10.463 -8.262 1.00 0.00 C ATOM 1584 O SER A 106 2.095 9.958 -8.599 1.00 0.00 O ATOM 1585 CB SER A 106 -0.267 11.044 -10.325 1.00 0.00 C ATOM 1586 OG SER A 106 -0.585 12.081 -11.236 1.00 0.00 O ATOM 0 H SER A 106 2.080 12.273 -10.135 1.00 0.00 H new ATOM 0 HA SER A 106 -0.346 12.094 -8.451 1.00 0.00 H new ATOM 0 HB2 SER A 106 0.395 10.324 -10.806 1.00 0.00 H new ATOM 0 HB3 SER A 106 -1.175 10.508 -10.048 1.00 0.00 H new ATOM 0 HG SER A 106 -1.012 11.699 -12.031 1.00 0.00 H new ATOM 1592 N LEU A 107 0.341 10.064 -7.194 1.00 0.00 N ATOM 1593 CA LEU A 107 0.822 8.986 -6.337 1.00 0.00 C ATOM 1594 C LEU A 107 -0.214 7.872 -6.231 1.00 0.00 C ATOM 1595 O LEU A 107 -1.211 8.003 -5.522 1.00 0.00 O ATOM 1596 CB LEU A 107 1.153 9.524 -4.944 1.00 0.00 C ATOM 1597 CG LEU A 107 1.836 8.543 -3.990 1.00 0.00 C ATOM 1598 CD1 LEU A 107 3.050 7.912 -4.653 1.00 0.00 C ATOM 1599 CD2 LEU A 107 2.234 9.243 -2.699 1.00 0.00 C ATOM 0 H LEU A 107 -0.547 10.471 -6.901 1.00 0.00 H new ATOM 0 HA LEU A 107 1.727 8.575 -6.785 1.00 0.00 H new ATOM 0 HB2 LEU A 107 1.796 10.397 -5.057 1.00 0.00 H new ATOM 0 HB3 LEU A 107 0.228 9.867 -4.480 1.00 0.00 H new ATOM 0 HG LEU A 107 1.128 7.751 -3.746 1.00 0.00 H new ATOM 0 HD11 LEU A 107 3.523 7.217 -3.959 1.00 0.00 H new ATOM 0 HD12 LEU A 107 2.737 7.375 -5.548 1.00 0.00 H new ATOM 0 HD13 LEU A 107 3.761 8.691 -4.927 1.00 0.00 H new ATOM 0 HD21 LEU A 107 2.718 8.529 -2.033 1.00 0.00 H new ATOM 0 HD22 LEU A 107 2.924 10.056 -2.924 1.00 0.00 H new ATOM 0 HD23 LEU A 107 1.345 9.646 -2.214 1.00 0.00 H new ATOM 1611 N ARG A 108 0.030 6.774 -6.940 1.00 0.00 N ATOM 1612 CA ARG A 108 -0.881 5.636 -6.925 1.00 0.00 C ATOM 1613 C ARG A 108 -0.402 4.569 -5.945 1.00 0.00 C ATOM 1614 O ARG A 108 0.772 4.194 -5.944 1.00 0.00 O ATOM 1615 CB ARG A 108 -1.006 5.037 -8.327 1.00 0.00 C ATOM 1616 CG ARG A 108 -2.315 4.302 -8.561 1.00 0.00 C ATOM 1617 CD ARG A 108 -2.206 3.323 -9.720 1.00 0.00 C ATOM 1618 NE ARG A 108 -2.519 3.953 -10.999 1.00 0.00 N ATOM 1619 CZ ARG A 108 -1.646 4.668 -11.701 1.00 0.00 C ATOM 1620 NH1 ARG A 108 -0.412 4.842 -11.248 1.00 0.00 N ATOM 1621 NH2 ARG A 108 -2.007 5.209 -12.857 1.00 0.00 N ATOM 0 H ARG A 108 0.851 6.649 -7.532 1.00 0.00 H new ATOM 0 HA ARG A 108 -1.859 5.990 -6.600 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -0.911 5.835 -9.064 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -0.178 4.348 -8.494 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -2.599 3.765 -7.656 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -3.107 5.023 -8.766 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -1.196 2.914 -9.755 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -2.884 2.486 -9.553 1.00 0.00 H new ATOM 0 HE ARG A 108 -3.460 3.838 -11.375 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -0.132 4.427 -10.360 1.00 0.00 H new ATOM 0 HH12 ARG A 108 0.257 5.391 -11.788 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -2.955 5.076 -13.208 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -1.336 5.758 -13.395 1.00 0.00 H new ATOM 1635 N LEU A 109 -1.317 4.085 -5.113 1.00 0.00 N ATOM 1636 CA LEU A 109 -0.988 3.061 -4.127 1.00 0.00 C ATOM 1637 C LEU A 109 -2.023 1.941 -4.140 1.00 0.00 C ATOM 1638 O LEU A 109 -3.227 2.195 -4.102 1.00 0.00 O ATOM 1639 CB LEU A 109 -0.905 3.678 -2.730 1.00 0.00 C ATOM 1640 CG LEU A 109 -0.093 4.969 -2.613 1.00 0.00 C ATOM 1641 CD1 LEU A 109 -0.141 5.502 -1.190 1.00 0.00 C ATOM 1642 CD2 LEU A 109 1.346 4.735 -3.049 1.00 0.00 C ATOM 0 H LEU A 109 -2.292 4.385 -5.101 1.00 0.00 H new ATOM 0 HA LEU A 109 -0.018 2.638 -4.388 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -1.919 3.877 -2.382 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -0.475 2.939 -2.053 1.00 0.00 H new ATOM 0 HG LEU A 109 -0.535 5.715 -3.274 1.00 0.00 H new ATOM 0 HD11 LEU A 109 0.442 6.421 -1.126 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -1.175 5.708 -0.913 1.00 0.00 H new ATOM 0 HD13 LEU A 109 0.275 4.760 -0.509 1.00 0.00 H new ATOM 0 HD21 LEU A 109 1.909 5.664 -2.959 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.799 3.973 -2.414 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.362 4.400 -4.086 1.00 0.00 H new ATOM 1654 N ILE A 110 -1.546 0.702 -4.191 1.00 0.00 N ATOM 1655 CA ILE A 110 -2.430 -0.457 -4.205 1.00 0.00 C ATOM 1656 C ILE A 110 -2.394 -1.192 -2.870 1.00 0.00 C ATOM 1657 O ILE A 110 -1.471 -1.959 -2.595 1.00 0.00 O ATOM 1658 CB ILE A 110 -2.052 -1.440 -5.329 1.00 0.00 C ATOM 1659 CG1 ILE A 110 -2.121 -0.743 -6.690 1.00 0.00 C ATOM 1660 CG2 ILE A 110 -2.969 -2.653 -5.302 1.00 0.00 C ATOM 1661 CD1 ILE A 110 -1.497 -1.544 -7.811 1.00 0.00 C ATOM 0 H ILE A 110 -0.552 0.475 -4.223 1.00 0.00 H new ATOM 0 HA ILE A 110 -3.438 -0.083 -4.384 1.00 0.00 H new ATOM 0 HB ILE A 110 -1.029 -1.779 -5.167 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -3.164 -0.543 -6.934 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -1.619 0.222 -6.621 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -2.689 -3.338 -6.102 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -2.875 -3.159 -4.341 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -4.001 -2.332 -5.443 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -1.582 -0.989 -8.746 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -0.445 -1.722 -7.589 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -2.014 -2.499 -7.907 1.00 0.00 H new ATOM 1673 N VAL A 111 -3.407 -0.954 -2.042 1.00 0.00 N ATOM 1674 CA VAL A 111 -3.494 -1.595 -0.736 1.00 0.00 C ATOM 1675 C VAL A 111 -4.544 -2.700 -0.734 1.00 0.00 C ATOM 1676 O VAL A 111 -5.466 -2.695 -1.550 1.00 0.00 O ATOM 1677 CB VAL A 111 -3.834 -0.577 0.368 1.00 0.00 C ATOM 1678 CG1 VAL A 111 -2.808 0.546 0.394 1.00 0.00 C ATOM 1679 CG2 VAL A 111 -5.237 -0.023 0.168 1.00 0.00 C ATOM 0 H VAL A 111 -4.179 -0.322 -2.253 1.00 0.00 H new ATOM 0 HA VAL A 111 -2.515 -2.028 -0.531 1.00 0.00 H new ATOM 0 HB VAL A 111 -3.803 -1.088 1.330 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -3.065 1.256 1.181 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -1.819 0.131 0.589 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -2.804 1.057 -0.569 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -5.461 0.695 0.957 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -5.298 0.472 -0.801 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -5.959 -0.839 0.204 1.00 0.00 H new ATOM 1689 N ALA A 112 -4.399 -3.646 0.188 1.00 0.00 N ATOM 1690 CA ALA A 112 -5.338 -4.756 0.297 1.00 0.00 C ATOM 1691 C ALA A 112 -6.170 -4.648 1.571 1.00 0.00 C ATOM 1692 O ALA A 112 -5.810 -3.924 2.499 1.00 0.00 O ATOM 1693 CB ALA A 112 -4.593 -6.082 0.262 1.00 0.00 C ATOM 0 H ALA A 112 -3.641 -3.666 0.870 1.00 0.00 H new ATOM 0 HA ALA A 112 -6.017 -4.710 -0.554 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -5.306 -6.902 0.344 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -4.048 -6.168 -0.678 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -3.891 -6.127 1.094 1.00 0.00 H new ATOM 1699 N ARG A 113 -7.283 -5.373 1.608 1.00 0.00 N ATOM 1700 CA ARG A 113 -8.167 -5.356 2.767 1.00 0.00 C ATOM 1701 C ARG A 113 -8.715 -6.752 3.052 1.00 0.00 C ATOM 1702 O ARG A 113 -8.924 -7.546 2.136 1.00 0.00 O ATOM 1703 CB ARG A 113 -9.322 -4.379 2.541 1.00 0.00 C ATOM 1704 CG ARG A 113 -8.956 -3.197 1.658 1.00 0.00 C ATOM 1705 CD ARG A 113 -9.814 -1.982 1.971 1.00 0.00 C ATOM 1706 NE ARG A 113 -9.373 -0.797 1.239 1.00 0.00 N ATOM 1707 CZ ARG A 113 -9.762 0.438 1.536 1.00 0.00 C ATOM 1708 NH1 ARG A 113 -10.595 0.649 2.546 1.00 0.00 N ATOM 1709 NH2 ARG A 113 -9.316 1.464 0.824 1.00 0.00 N ATOM 0 H ARG A 113 -7.594 -5.979 0.849 1.00 0.00 H new ATOM 0 HA ARG A 113 -7.588 -5.028 3.630 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -10.157 -4.915 2.089 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -9.667 -4.008 3.506 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -7.904 -2.947 1.800 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -9.080 -3.472 0.611 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -10.853 -2.197 1.720 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -9.780 -1.780 3.042 1.00 0.00 H new ATOM 0 HE ARG A 113 -8.731 -0.925 0.457 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -10.938 -0.138 3.097 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -10.892 1.598 2.772 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -8.674 1.305 0.048 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -9.615 2.412 1.053 1.00 0.00 H new ATOM 1723 N GLU A 114 -8.945 -7.042 4.329 1.00 0.00 N ATOM 1724 CA GLU A 114 -9.468 -8.341 4.734 1.00 0.00 C ATOM 1725 C GLU A 114 -10.975 -8.417 4.507 1.00 0.00 C ATOM 1726 O GLU A 114 -11.724 -7.497 4.835 1.00 0.00 O ATOM 1727 CB GLU A 114 -9.149 -8.608 6.207 1.00 0.00 C ATOM 1728 CG GLU A 114 -9.819 -9.855 6.759 1.00 0.00 C ATOM 1729 CD GLU A 114 -9.557 -10.051 8.239 1.00 0.00 C ATOM 1730 OE1 GLU A 114 -8.473 -9.648 8.710 1.00 0.00 O ATOM 1731 OE2 GLU A 114 -10.439 -10.607 8.928 1.00 0.00 O ATOM 0 H GLU A 114 -8.777 -6.395 5.100 1.00 0.00 H new ATOM 0 HA GLU A 114 -8.987 -9.104 4.121 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -8.070 -8.704 6.325 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -9.459 -7.747 6.799 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -10.894 -9.791 6.589 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -9.462 -10.727 6.212 1.00 0.00 H new ATOM 1738 N PRO A 115 -11.431 -9.539 3.931 1.00 0.00 N ATOM 1739 CA PRO A 115 -12.851 -9.762 3.646 1.00 0.00 C ATOM 1740 C PRO A 115 -13.672 -9.964 4.916 1.00 0.00 C ATOM 1741 O PRO A 115 -13.132 -10.306 5.968 1.00 0.00 O ATOM 1742 CB PRO A 115 -12.848 -11.040 2.803 1.00 0.00 C ATOM 1743 CG PRO A 115 -11.599 -11.750 3.197 1.00 0.00 C ATOM 1744 CD PRO A 115 -10.594 -10.677 3.513 1.00 0.00 C ATOM 0 HA PRO A 115 -13.305 -8.907 3.146 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -13.730 -11.649 3.004 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -12.854 -10.811 1.737 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -11.771 -12.391 4.062 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -11.244 -12.392 2.391 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -9.911 -10.986 4.305 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -9.984 -10.429 2.644 1.00 0.00 H new ATOM 1752 N VAL A 116 -14.980 -9.751 4.810 1.00 0.00 N ATOM 1753 CA VAL A 116 -15.875 -9.911 5.949 1.00 0.00 C ATOM 1754 C VAL A 116 -15.159 -9.601 7.259 1.00 0.00 C ATOM 1755 O VAL A 116 -15.378 -10.266 8.271 1.00 0.00 O ATOM 1756 CB VAL A 116 -16.449 -11.339 6.016 1.00 0.00 C ATOM 1757 CG1 VAL A 116 -15.372 -12.327 6.436 1.00 0.00 C ATOM 1758 CG2 VAL A 116 -17.634 -11.392 6.968 1.00 0.00 C ATOM 0 H VAL A 116 -15.443 -9.467 3.947 1.00 0.00 H new ATOM 0 HA VAL A 116 -16.693 -9.205 5.810 1.00 0.00 H new ATOM 0 HB VAL A 116 -16.798 -11.620 5.022 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -15.795 -13.331 6.478 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -14.557 -12.307 5.712 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -14.990 -12.053 7.419 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -18.027 -12.408 7.003 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -17.313 -11.092 7.966 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -18.412 -10.714 6.618 1.00 0.00 H new ATOM 1768 N HIS A 117 -14.302 -8.585 7.232 1.00 0.00 N ATOM 1769 CA HIS A 117 -13.553 -8.185 8.418 1.00 0.00 C ATOM 1770 C HIS A 117 -14.498 -7.796 9.551 1.00 0.00 C ATOM 1771 O HIS A 117 -15.536 -7.173 9.323 1.00 0.00 O ATOM 1772 CB HIS A 117 -12.623 -7.016 8.091 1.00 0.00 C ATOM 1773 CG HIS A 117 -13.262 -5.674 8.271 1.00 0.00 C ATOM 1774 ND1 HIS A 117 -14.189 -5.157 7.390 1.00 0.00 N ATOM 1775 CD2 HIS A 117 -13.104 -4.741 9.239 1.00 0.00 C ATOM 1776 CE1 HIS A 117 -14.572 -3.964 7.807 1.00 0.00 C ATOM 1777 NE2 HIS A 117 -13.929 -3.688 8.928 1.00 0.00 N ATOM 0 H HIS A 117 -14.109 -8.024 6.402 1.00 0.00 H new ATOM 0 HA HIS A 117 -12.954 -9.036 8.743 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -11.739 -7.077 8.726 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -12.282 -7.111 7.060 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -12.451 -4.812 10.096 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -15.289 -3.323 7.315 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -14.029 -2.832 9.474 1.00 0.00 H new ATOM 1786 N THR A 118 -14.133 -8.169 10.774 1.00 0.00 N ATOM 1787 CA THR A 118 -14.949 -7.861 11.942 1.00 0.00 C ATOM 1788 C THR A 118 -14.672 -6.451 12.450 1.00 0.00 C ATOM 1789 O THR A 118 -13.521 -6.018 12.516 1.00 0.00 O ATOM 1790 CB THR A 118 -14.696 -8.864 13.084 1.00 0.00 C ATOM 1791 OG1 THR A 118 -13.331 -8.789 13.509 1.00 0.00 O ATOM 1792 CG2 THR A 118 -15.016 -10.283 12.638 1.00 0.00 C ATOM 0 H THR A 118 -13.278 -8.685 10.981 1.00 0.00 H new ATOM 0 HA THR A 118 -15.990 -7.933 11.628 1.00 0.00 H new ATOM 0 HB THR A 118 -15.350 -8.605 13.917 1.00 0.00 H new ATOM 0 HG1 THR A 118 -13.179 -9.428 14.236 1.00 0.00 H new ATOM 0 HG21 THR A 118 -14.830 -10.974 13.461 1.00 0.00 H new ATOM 0 HG22 THR A 118 -16.063 -10.344 12.343 1.00 0.00 H new ATOM 0 HG23 THR A 118 -14.384 -10.549 11.791 1.00 0.00 H new ATOM 1800 N LYS A 119 -15.734 -5.737 12.809 1.00 0.00 N ATOM 1801 CA LYS A 119 -15.606 -4.375 13.313 1.00 0.00 C ATOM 1802 C LYS A 119 -15.101 -4.373 14.753 1.00 0.00 C ATOM 1803 O LYS A 119 -15.890 -4.389 15.697 1.00 0.00 O ATOM 1804 CB LYS A 119 -16.951 -3.651 13.233 1.00 0.00 C ATOM 1805 CG LYS A 119 -17.300 -3.169 11.835 1.00 0.00 C ATOM 1806 CD LYS A 119 -18.717 -2.624 11.770 1.00 0.00 C ATOM 1807 CE LYS A 119 -19.222 -2.552 10.337 1.00 0.00 C ATOM 1808 NZ LYS A 119 -19.721 -3.871 9.859 1.00 0.00 N ATOM 0 H LYS A 119 -16.693 -6.080 12.760 1.00 0.00 H new ATOM 0 HA LYS A 119 -14.881 -3.851 12.691 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -17.736 -4.321 13.584 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -16.935 -2.796 13.909 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -16.597 -2.394 11.530 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -17.193 -3.992 11.128 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -19.379 -3.259 12.359 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -18.747 -1.631 12.218 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -20.022 -1.815 10.270 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -18.418 -2.210 9.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -20.056 -3.781 8.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -18.951 -4.569 9.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -20.505 -4.186 10.465 1.00 0.00 H new ATOM 1822 N SER A 120 -13.782 -4.352 14.913 1.00 0.00 N ATOM 1823 CA SER A 120 -13.172 -4.350 16.237 1.00 0.00 C ATOM 1824 C SER A 120 -12.497 -3.012 16.523 1.00 0.00 C ATOM 1825 O SER A 120 -12.370 -2.167 15.637 1.00 0.00 O ATOM 1826 CB SER A 120 -12.152 -5.484 16.354 1.00 0.00 C ATOM 1827 OG SER A 120 -12.793 -6.723 16.604 1.00 0.00 O ATOM 0 H SER A 120 -13.115 -4.336 14.142 1.00 0.00 H new ATOM 0 HA SER A 120 -13.961 -4.503 16.973 1.00 0.00 H new ATOM 0 HB2 SER A 120 -11.571 -5.551 15.434 1.00 0.00 H new ATOM 0 HB3 SER A 120 -11.451 -5.265 17.159 1.00 0.00 H new ATOM 0 HG SER A 120 -12.120 -7.432 16.673 1.00 0.00 H new ATOM 1833 N SER A 121 -12.066 -2.828 17.766 1.00 0.00 N ATOM 1834 CA SER A 121 -11.407 -1.591 18.171 1.00 0.00 C ATOM 1835 C SER A 121 -12.212 -0.375 17.725 1.00 0.00 C ATOM 1836 O SER A 121 -11.666 0.576 17.164 1.00 0.00 O ATOM 1837 CB SER A 121 -9.995 -1.525 17.585 1.00 0.00 C ATOM 1838 OG SER A 121 -9.269 -0.436 18.126 1.00 0.00 O ATOM 0 H SER A 121 -12.161 -3.519 18.510 1.00 0.00 H new ATOM 0 HA SER A 121 -11.342 -1.583 19.259 1.00 0.00 H new ATOM 0 HB2 SER A 121 -9.468 -2.456 17.792 1.00 0.00 H new ATOM 0 HB3 SER A 121 -10.052 -1.425 16.501 1.00 0.00 H new ATOM 0 HG SER A 121 -9.761 0.397 17.966 1.00 0.00 H new ATOM 1844 N THR A 122 -13.517 -0.412 17.977 1.00 0.00 N ATOM 1845 CA THR A 122 -14.400 0.685 17.600 1.00 0.00 C ATOM 1846 C THR A 122 -15.030 1.330 18.830 1.00 0.00 C ATOM 1847 O THR A 122 -15.867 0.724 19.499 1.00 0.00 O ATOM 1848 CB THR A 122 -15.518 0.208 16.655 1.00 0.00 C ATOM 1849 OG1 THR A 122 -16.234 -0.879 17.252 1.00 0.00 O ATOM 1850 CG2 THR A 122 -14.943 -0.232 15.316 1.00 0.00 C ATOM 0 H THR A 122 -13.986 -1.190 18.441 1.00 0.00 H new ATOM 0 HA THR A 122 -13.786 1.421 17.081 1.00 0.00 H new ATOM 0 HB THR A 122 -16.200 1.041 16.485 1.00 0.00 H new ATOM 0 HG1 THR A 122 -16.309 -0.730 18.218 1.00 0.00 H new ATOM 0 HG21 THR A 122 -15.751 -0.565 14.665 1.00 0.00 H new ATOM 0 HG22 THR A 122 -14.423 0.605 14.850 1.00 0.00 H new ATOM 0 HG23 THR A 122 -14.242 -1.052 15.473 1.00 0.00 H new ATOM 1858 N SER A 123 -14.624 2.561 19.120 1.00 0.00 N ATOM 1859 CA SER A 123 -15.148 3.287 20.272 1.00 0.00 C ATOM 1860 C SER A 123 -14.748 2.601 21.574 1.00 0.00 C ATOM 1861 O SER A 123 -15.512 2.582 22.539 1.00 0.00 O ATOM 1862 CB SER A 123 -16.671 3.394 20.184 1.00 0.00 C ATOM 1863 OG SER A 123 -17.161 4.412 21.039 1.00 0.00 O ATOM 0 H SER A 123 -13.934 3.077 18.574 1.00 0.00 H new ATOM 0 HA SER A 123 -14.720 4.289 20.264 1.00 0.00 H new ATOM 0 HB2 SER A 123 -16.965 3.606 19.156 1.00 0.00 H new ATOM 0 HB3 SER A 123 -17.122 2.439 20.455 1.00 0.00 H new ATOM 0 HG SER A 123 -16.816 4.272 21.946 1.00 0.00 H new ATOM 1869 N GLY A 124 -13.545 2.036 21.593 1.00 0.00 N ATOM 1870 CA GLY A 124 -13.064 1.355 22.781 1.00 0.00 C ATOM 1871 C GLY A 124 -12.491 2.314 23.807 1.00 0.00 C ATOM 1872 O GLY A 124 -13.095 2.578 24.846 1.00 0.00 O ATOM 0 H GLY A 124 -12.895 2.038 20.807 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -13.883 0.793 23.231 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -12.299 0.632 22.497 1.00 0.00 H new ATOM 1876 N PRO A 125 -11.296 2.851 23.518 1.00 0.00 N ATOM 1877 CA PRO A 125 -10.615 3.793 24.411 1.00 0.00 C ATOM 1878 C PRO A 125 -11.318 5.145 24.473 1.00 0.00 C ATOM 1879 O PRO A 125 -12.004 5.542 23.531 1.00 0.00 O ATOM 1880 CB PRO A 125 -9.228 3.939 23.781 1.00 0.00 C ATOM 1881 CG PRO A 125 -9.430 3.617 22.341 1.00 0.00 C ATOM 1882 CD PRO A 125 -10.519 2.581 22.297 1.00 0.00 C ATOM 0 HA PRO A 125 -10.595 3.437 25.441 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -8.839 4.949 23.910 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -8.511 3.260 24.242 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -9.714 4.506 21.778 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -8.512 3.237 21.894 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -11.132 2.680 21.401 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -10.112 1.570 22.295 1.00 0.00 H new ATOM 1890 N SER A 126 -11.142 5.848 25.587 1.00 0.00 N ATOM 1891 CA SER A 126 -11.762 7.154 25.773 1.00 0.00 C ATOM 1892 C SER A 126 -13.263 7.015 26.009 1.00 0.00 C ATOM 1893 O SER A 126 -14.056 7.821 25.525 1.00 0.00 O ATOM 1894 CB SER A 126 -11.507 8.041 24.552 1.00 0.00 C ATOM 1895 OG SER A 126 -11.628 9.413 24.885 1.00 0.00 O ATOM 0 H SER A 126 -10.575 5.535 26.375 1.00 0.00 H new ATOM 0 HA SER A 126 -11.315 7.619 26.652 1.00 0.00 H new ATOM 0 HB2 SER A 126 -10.510 7.846 24.158 1.00 0.00 H new ATOM 0 HB3 SER A 126 -12.216 7.791 23.763 1.00 0.00 H new ATOM 0 HG SER A 126 -12.519 9.582 25.257 1.00 0.00 H new ATOM 1901 N SER A 127 -13.644 5.985 26.758 1.00 0.00 N ATOM 1902 CA SER A 127 -15.049 5.736 27.057 1.00 0.00 C ATOM 1903 C SER A 127 -15.714 6.986 27.624 1.00 0.00 C ATOM 1904 O SER A 127 -15.049 7.855 28.187 1.00 0.00 O ATOM 1905 CB SER A 127 -15.184 4.578 28.048 1.00 0.00 C ATOM 1906 OG SER A 127 -14.565 3.405 27.550 1.00 0.00 O ATOM 0 H SER A 127 -12.999 5.310 27.169 1.00 0.00 H new ATOM 0 HA SER A 127 -15.551 5.469 26.127 1.00 0.00 H new ATOM 0 HB2 SER A 127 -14.731 4.855 29.000 1.00 0.00 H new ATOM 0 HB3 SER A 127 -16.239 4.382 28.242 1.00 0.00 H new ATOM 0 HG SER A 127 -14.241 3.568 26.640 1.00 0.00 H new ATOM 1912 N GLY A 128 -17.032 7.069 27.472 1.00 0.00 N ATOM 1913 CA GLY A 128 -17.766 8.217 27.973 1.00 0.00 C ATOM 1914 C GLY A 128 -18.422 9.015 26.864 1.00 0.00 C ATOM 1915 O GLY A 128 -17.837 9.965 26.344 1.00 0.00 O ATOM 0 H GLY A 128 -17.605 6.362 27.011 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -18.530 7.879 28.673 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -17.087 8.864 28.529 1.00 0.00 H new TER 1919 GLY A 128