USER MOD reduce.3.24.130724 H: found=0, std=0, add=965, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 952 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 33 HIS : no HE2:sc= 1.15 K(o=1.9,f=-7.4!) USER MOD Set 1.2: A 39 ASN : amide:sc= 0.938 K(o=1.9,f=0.33) USER MOD Set 1.3: A 43 MET CE :methyl 156:sc= -0.231 (180deg=-0.711) USER MOD Single : A 1 LEU N :NH3+ -141:sc= 0.319 (180deg=-2.33!) USER MOD Single : A 2 ASN : amide:sc= -1.04 K(o=-1,f=-0.12) USER MOD Single : A 7 THR OG1 : rot 56:sc= 0.157 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0642 USER MOD Single : A 10 GLN : amide:sc= 0.34 X(o=0.34,f=-0.11) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 82:sc= 1.12 USER MOD Single : A 19 GLN : amide:sc= -0.745 K(o=-0.75,f=-0.15) USER MOD Single : A 21 HIS : no HD1:sc= -0.845 K(o=-0.85,f=0.17) USER MOD Single : A 22 ASN : amide:sc= -0.131 K(o=-0.13,f=-1.6!) USER MOD Single : A 23 GLN : amide:sc= 1.2 K(o=1.2,f=-2) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 0.952 K(o=0.95,f=-5.2!) USER MOD Single : A 28 ASN : amide:sc= -0.169 X(o=-0.17,f=0) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 36 SER OG : rot 180:sc= -0.0183 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.0356 USER MOD Single : A 47 MET CE :methyl -125:sc= -2.99 (180deg=-4.81!) USER MOD Single : A 48 ASN : amide:sc= 0.171 X(o=0.17,f=-0.057) USER MOD Single : A 49 LYS NZ :NH3+ -145:sc= -1.55! (180deg=-5.07!) USER MOD Single : A 54 SER OG : rot 160:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0.823 K(o=0.82,f=-0.84) USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ -165:sc= 1.33 (180deg=1.21) USER MOD Single : A 63 HIS : no HD1:sc= -0.0459 X(o=-0.046,f=-0.037) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -0.254 X(o=-0.25,f=-0.32) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 142:sc= 1.32 (180deg=-0.331) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot -103:sc= 0.763 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0.065) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 42:sc= 1.23 USER MOD Single : A 97 MET CE :methyl 146:sc= -1.02 (180deg=-1.49) USER MOD Single : A 98 THR OG1 : rot -80:sc= 0.77 USER MOD Single : A 108 LYS NZ :NH3+ -160:sc= 1.16 (180deg=0.79) USER MOD Single : A 109 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.345) USER MOD Single : A 112 HIS : no HD1:sc= -0.131 X(o=-0.13,f=0.017) USER MOD Single : A 113 HIS : no HD1:sc= -0.142 X(o=-0.14,f=-0.09) USER MOD Single : A 114 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 115 HIS : no HD1:sc= 0 X(o=0,f=-0.0035) USER MOD Single : A 116 HIS : no HD1:sc= -0.371 X(o=-0.37,f=-0.13) USER MOD Single : A 117 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -0.257 2.575 -1.637 1.00 0.00 N ATOM 2 CA LEU A 1 1.101 2.046 -1.371 1.00 0.00 C ATOM 3 C LEU A 1 2.120 3.179 -1.317 1.00 0.00 C ATOM 4 O LEU A 1 1.954 4.205 -1.974 1.00 0.00 O ATOM 5 CB LEU A 1 1.523 1.025 -2.438 1.00 0.00 C ATOM 6 CG LEU A 1 0.917 -0.380 -2.305 1.00 0.00 C ATOM 7 CD1 LEU A 1 -0.542 -0.394 -2.735 1.00 0.00 C ATOM 8 CD2 LEU A 1 1.720 -1.382 -3.118 1.00 0.00 C ATOM 0 H1 LEU A 1 -0.952 2.049 -1.070 1.00 0.00 H new ATOM 0 H2 LEU A 1 -0.293 3.582 -1.381 1.00 0.00 H new ATOM 0 H3 LEU A 1 -0.480 2.466 -2.647 1.00 0.00 H new ATOM 0 HA LEU A 1 1.071 1.544 -0.404 1.00 0.00 H new ATOM 0 HB2 LEU A 1 1.257 1.422 -3.417 1.00 0.00 H new ATOM 0 HB3 LEU A 1 2.609 0.934 -2.415 1.00 0.00 H new ATOM 0 HG LEU A 1 0.959 -0.666 -1.254 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -0.943 -1.402 -2.629 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -1.113 0.291 -2.108 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -0.617 -0.081 -3.776 1.00 0.00 H new ATOM 0 HD21 LEU A 1 1.278 -2.373 -3.013 1.00 0.00 H new ATOM 0 HD22 LEU A 1 1.711 -1.089 -4.168 1.00 0.00 H new ATOM 0 HD23 LEU A 1 2.748 -1.403 -2.756 1.00 0.00 H new ATOM 19 N ASN A 2 3.172 2.976 -0.527 1.00 0.00 N ATOM 20 CA ASN A 2 4.230 3.970 -0.344 1.00 0.00 C ATOM 21 C ASN A 2 5.099 4.051 -1.603 1.00 0.00 C ATOM 22 O ASN A 2 5.831 3.111 -1.916 1.00 0.00 O ATOM 23 CB ASN A 2 5.087 3.568 0.863 1.00 0.00 C ATOM 24 CG ASN A 2 5.772 4.730 1.570 1.00 0.00 C ATOM 25 OD1 ASN A 2 6.065 4.649 2.762 1.00 0.00 O ATOM 26 ND2 ASN A 2 6.019 5.822 0.867 1.00 0.00 N ATOM 0 H ASN A 2 3.316 2.118 0.005 1.00 0.00 H new ATOM 0 HA ASN A 2 3.786 4.950 -0.168 1.00 0.00 H new ATOM 0 HB2 ASN A 2 4.456 3.044 1.581 1.00 0.00 H new ATOM 0 HB3 ASN A 2 5.848 2.862 0.532 1.00 0.00 H new ATOM 0 HD21 ASN A 2 6.463 6.625 1.312 1.00 0.00 H new ATOM 0 HD22 ASN A 2 5.765 5.861 -0.120 1.00 0.00 H new ATOM 33 N ILE A 3 5.029 5.171 -2.315 1.00 0.00 N ATOM 34 CA ILE A 3 5.711 5.301 -3.602 1.00 0.00 C ATOM 35 C ILE A 3 7.110 5.888 -3.432 1.00 0.00 C ATOM 36 O ILE A 3 7.993 5.664 -4.260 1.00 0.00 O ATOM 37 CB ILE A 3 4.885 6.166 -4.590 1.00 0.00 C ATOM 38 CG1 ILE A 3 5.517 6.145 -5.985 1.00 0.00 C ATOM 39 CG2 ILE A 3 4.753 7.598 -4.083 1.00 0.00 C ATOM 40 CD1 ILE A 3 4.694 6.859 -7.035 1.00 0.00 C ATOM 0 H ILE A 3 4.510 6.000 -2.026 1.00 0.00 H new ATOM 0 HA ILE A 3 5.808 4.298 -4.019 1.00 0.00 H new ATOM 0 HB ILE A 3 3.885 5.738 -4.658 1.00 0.00 H new ATOM 0 HG12 ILE A 3 6.504 6.605 -5.934 1.00 0.00 H new ATOM 0 HG13 ILE A 3 5.663 5.110 -6.293 1.00 0.00 H new ATOM 0 HG21 ILE A 3 4.170 8.183 -4.794 1.00 0.00 H new ATOM 0 HG22 ILE A 3 4.251 7.597 -3.116 1.00 0.00 H new ATOM 0 HG23 ILE A 3 5.744 8.039 -3.977 1.00 0.00 H new ATOM 0 HD11 ILE A 3 5.204 6.803 -7.997 1.00 0.00 H new ATOM 0 HD12 ILE A 3 3.716 6.385 -7.115 1.00 0.00 H new ATOM 0 HD13 ILE A 3 4.569 7.904 -6.751 1.00 0.00 H new ATOM 52 N GLU A 4 7.320 6.605 -2.338 1.00 0.00 N ATOM 53 CA GLU A 4 8.606 7.238 -2.060 1.00 0.00 C ATOM 54 C GLU A 4 9.675 6.204 -1.700 1.00 0.00 C ATOM 55 O GLU A 4 10.829 6.551 -1.443 1.00 0.00 O ATOM 56 CB GLU A 4 8.470 8.260 -0.926 1.00 0.00 C ATOM 57 CG GLU A 4 7.309 9.230 -1.106 1.00 0.00 C ATOM 58 CD GLU A 4 6.023 8.739 -0.466 1.00 0.00 C ATOM 59 OE1 GLU A 4 5.424 7.770 -0.979 1.00 0.00 O ATOM 60 OE2 GLU A 4 5.619 9.315 0.566 1.00 0.00 O ATOM 0 H GLU A 4 6.612 6.765 -1.622 1.00 0.00 H new ATOM 0 HA GLU A 4 8.920 7.751 -2.969 1.00 0.00 H new ATOM 0 HB2 GLU A 4 8.343 7.728 0.017 1.00 0.00 H new ATOM 0 HB3 GLU A 4 9.397 8.828 -0.849 1.00 0.00 H new ATOM 0 HG2 GLU A 4 7.578 10.194 -0.675 1.00 0.00 H new ATOM 0 HG3 GLU A 4 7.140 9.393 -2.170 1.00 0.00 H new ATOM 67 N ARG A 5 9.291 4.934 -1.683 1.00 0.00 N ATOM 68 CA ARG A 5 10.231 3.859 -1.399 1.00 0.00 C ATOM 69 C ARG A 5 10.396 2.985 -2.632 1.00 0.00 C ATOM 70 O ARG A 5 11.218 2.070 -2.656 1.00 0.00 O ATOM 71 CB ARG A 5 9.750 2.985 -0.241 1.00 0.00 C ATOM 72 CG ARG A 5 9.308 3.750 0.992 1.00 0.00 C ATOM 73 CD ARG A 5 8.882 2.797 2.095 1.00 0.00 C ATOM 74 NE ARG A 5 8.035 1.718 1.584 1.00 0.00 N ATOM 75 CZ ARG A 5 7.288 0.921 2.344 1.00 0.00 C ATOM 76 NH1 ARG A 5 7.187 1.137 3.649 1.00 0.00 N ATOM 77 NH2 ARG A 5 6.618 -0.075 1.782 1.00 0.00 N ATOM 0 H ARG A 5 8.336 4.624 -1.862 1.00 0.00 H new ATOM 0 HA ARG A 5 11.182 4.315 -1.122 1.00 0.00 H new ATOM 0 HB2 ARG A 5 8.919 2.372 -0.588 1.00 0.00 H new ATOM 0 HB3 ARG A 5 10.553 2.304 0.040 1.00 0.00 H new ATOM 0 HG2 ARG A 5 10.123 4.381 1.346 1.00 0.00 H new ATOM 0 HG3 ARG A 5 8.480 4.412 0.737 1.00 0.00 H new ATOM 0 HD2 ARG A 5 9.766 2.371 2.569 1.00 0.00 H new ATOM 0 HD3 ARG A 5 8.342 3.349 2.864 1.00 0.00 H new ATOM 0 HE ARG A 5 8.016 1.567 0.575 1.00 0.00 H new ATOM 0 HH11 ARG A 5 7.684 1.918 4.077 1.00 0.00 H new ATOM 0 HH12 ARG A 5 6.612 0.522 4.225 1.00 0.00 H new ATOM 0 HH21 ARG A 5 6.678 -0.225 0.775 1.00 0.00 H new ATOM 0 HH22 ARG A 5 6.043 -0.691 2.357 1.00 0.00 H new ATOM 91 N LEU A 6 9.598 3.275 -3.653 1.00 0.00 N ATOM 92 CA LEU A 6 9.590 2.484 -4.869 1.00 0.00 C ATOM 93 C LEU A 6 10.904 2.666 -5.622 1.00 0.00 C ATOM 94 O LEU A 6 11.099 3.662 -6.311 1.00 0.00 O ATOM 95 CB LEU A 6 8.404 2.885 -5.752 1.00 0.00 C ATOM 96 CG LEU A 6 8.214 2.038 -7.009 1.00 0.00 C ATOM 97 CD1 LEU A 6 7.910 0.595 -6.641 1.00 0.00 C ATOM 98 CD2 LEU A 6 7.109 2.618 -7.876 1.00 0.00 C ATOM 0 H LEU A 6 8.945 4.059 -3.658 1.00 0.00 H new ATOM 0 HA LEU A 6 9.485 1.432 -4.606 1.00 0.00 H new ATOM 0 HB2 LEU A 6 7.493 2.831 -5.156 1.00 0.00 H new ATOM 0 HB3 LEU A 6 8.529 3.926 -6.050 1.00 0.00 H new ATOM 0 HG LEU A 6 9.142 2.053 -7.581 1.00 0.00 H new ATOM 0 HD11 LEU A 6 7.778 0.008 -7.550 1.00 0.00 H new ATOM 0 HD12 LEU A 6 8.737 0.185 -6.061 1.00 0.00 H new ATOM 0 HD13 LEU A 6 6.997 0.556 -6.048 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.986 2.003 -8.768 1.00 0.00 H new ATOM 0 HD22 LEU A 6 6.175 2.633 -7.314 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.372 3.634 -8.169 1.00 0.00 H new ATOM 110 N THR A 7 11.809 1.717 -5.461 1.00 0.00 N ATOM 111 CA THR A 7 13.139 1.828 -6.040 1.00 0.00 C ATOM 112 C THR A 7 13.284 0.914 -7.256 1.00 0.00 C ATOM 113 O THR A 7 14.164 1.108 -8.096 1.00 0.00 O ATOM 114 CB THR A 7 14.208 1.461 -4.994 1.00 0.00 C ATOM 115 OG1 THR A 7 13.893 2.094 -3.746 1.00 0.00 O ATOM 116 CG2 THR A 7 15.599 1.890 -5.444 1.00 0.00 C ATOM 0 H THR A 7 11.648 0.859 -4.933 1.00 0.00 H new ATOM 0 HA THR A 7 13.281 2.861 -6.358 1.00 0.00 H new ATOM 0 HB THR A 7 14.209 0.377 -4.876 1.00 0.00 H new ATOM 0 HG1 THR A 7 12.986 1.845 -3.473 1.00 0.00 H new ATOM 0 HG21 THR A 7 16.329 1.616 -4.682 1.00 0.00 H new ATOM 0 HG22 THR A 7 15.848 1.392 -6.381 1.00 0.00 H new ATOM 0 HG23 THR A 7 15.617 2.970 -5.591 1.00 0.00 H new ATOM 124 N THR A 8 12.403 -0.068 -7.357 1.00 0.00 N ATOM 125 CA THR A 8 12.485 -1.052 -8.422 1.00 0.00 C ATOM 126 C THR A 8 11.129 -1.252 -9.087 1.00 0.00 C ATOM 127 O THR A 8 10.086 -1.080 -8.457 1.00 0.00 O ATOM 128 CB THR A 8 12.999 -2.410 -7.889 1.00 0.00 C ATOM 129 OG1 THR A 8 13.100 -3.361 -8.955 1.00 0.00 O ATOM 130 CG2 THR A 8 12.077 -2.956 -6.810 1.00 0.00 C ATOM 0 H THR A 8 11.623 -0.204 -6.714 1.00 0.00 H new ATOM 0 HA THR A 8 13.191 -0.671 -9.159 1.00 0.00 H new ATOM 0 HB THR A 8 13.986 -2.245 -7.458 1.00 0.00 H new ATOM 0 HG1 THR A 8 13.428 -4.214 -8.602 1.00 0.00 H new ATOM 0 HG21 THR A 8 12.461 -3.911 -6.452 1.00 0.00 H new ATOM 0 HG22 THR A 8 12.030 -2.250 -5.981 1.00 0.00 H new ATOM 0 HG23 THR A 8 11.078 -3.098 -7.223 1.00 0.00 H new ATOM 138 N LEU A 9 11.150 -1.608 -10.364 1.00 0.00 N ATOM 139 CA LEU A 9 9.926 -1.912 -11.096 1.00 0.00 C ATOM 140 C LEU A 9 9.754 -3.416 -11.230 1.00 0.00 C ATOM 141 O LEU A 9 9.052 -3.894 -12.120 1.00 0.00 O ATOM 142 CB LEU A 9 9.944 -1.260 -12.481 1.00 0.00 C ATOM 143 CG LEU A 9 9.887 0.269 -12.483 1.00 0.00 C ATOM 144 CD1 LEU A 9 9.847 0.795 -13.906 1.00 0.00 C ATOM 145 CD2 LEU A 9 8.679 0.766 -11.705 1.00 0.00 C ATOM 0 H LEU A 9 12.003 -1.694 -10.917 1.00 0.00 H new ATOM 0 HA LEU A 9 9.084 -1.506 -10.536 1.00 0.00 H new ATOM 0 HB2 LEU A 9 10.849 -1.574 -13.001 1.00 0.00 H new ATOM 0 HB3 LEU A 9 9.098 -1.640 -13.055 1.00 0.00 H new ATOM 0 HG LEU A 9 10.787 0.643 -11.995 1.00 0.00 H new ATOM 0 HD11 LEU A 9 9.807 1.884 -13.890 1.00 0.00 H new ATOM 0 HD12 LEU A 9 10.742 0.473 -14.438 1.00 0.00 H new ATOM 0 HD13 LEU A 9 8.964 0.406 -14.413 1.00 0.00 H new ATOM 0 HD21 LEU A 9 8.660 1.856 -11.720 1.00 0.00 H new ATOM 0 HD22 LEU A 9 7.768 0.380 -12.162 1.00 0.00 H new ATOM 0 HD23 LEU A 9 8.742 0.419 -10.674 1.00 0.00 H new ATOM 157 N GLN A 10 10.385 -4.156 -10.325 1.00 0.00 N ATOM 158 CA GLN A 10 10.304 -5.614 -10.314 1.00 0.00 C ATOM 159 C GLN A 10 8.847 -6.113 -10.360 1.00 0.00 C ATOM 160 O GLN A 10 8.518 -6.952 -11.199 1.00 0.00 O ATOM 161 CB GLN A 10 11.031 -6.183 -9.088 1.00 0.00 C ATOM 162 CG GLN A 10 11.038 -7.702 -9.020 1.00 0.00 C ATOM 163 CD GLN A 10 11.669 -8.336 -10.243 1.00 0.00 C ATOM 164 OE1 GLN A 10 12.880 -8.540 -10.295 1.00 0.00 O ATOM 165 NE2 GLN A 10 10.848 -8.681 -11.222 1.00 0.00 N ATOM 0 H GLN A 10 10.964 -3.766 -9.582 1.00 0.00 H new ATOM 0 HA GLN A 10 10.798 -5.974 -11.217 1.00 0.00 H new ATOM 0 HB2 GLN A 10 12.061 -5.825 -9.091 1.00 0.00 H new ATOM 0 HB3 GLN A 10 10.560 -5.792 -8.186 1.00 0.00 H new ATOM 0 HG2 GLN A 10 11.580 -8.020 -8.130 1.00 0.00 H new ATOM 0 HG3 GLN A 10 10.015 -8.062 -8.915 1.00 0.00 H new ATOM 0 HE21 GLN A 10 9.849 -8.494 -11.139 1.00 0.00 H new ATOM 0 HE22 GLN A 10 11.215 -9.134 -12.059 1.00 0.00 H new ATOM 174 N PRO A 11 7.941 -5.614 -9.480 1.00 0.00 N ATOM 175 CA PRO A 11 6.530 -6.030 -9.502 1.00 0.00 C ATOM 176 C PRO A 11 5.854 -5.715 -10.836 1.00 0.00 C ATOM 177 O PRO A 11 4.918 -6.403 -11.250 1.00 0.00 O ATOM 178 CB PRO A 11 5.890 -5.215 -8.374 1.00 0.00 C ATOM 179 CG PRO A 11 7.022 -4.823 -7.489 1.00 0.00 C ATOM 180 CD PRO A 11 8.199 -4.640 -8.398 1.00 0.00 C ATOM 0 HA PRO A 11 6.426 -7.107 -9.374 1.00 0.00 H new ATOM 0 HB2 PRO A 11 5.373 -4.338 -8.765 1.00 0.00 H new ATOM 0 HB3 PRO A 11 5.151 -5.805 -7.831 1.00 0.00 H new ATOM 0 HG2 PRO A 11 6.797 -3.903 -6.949 1.00 0.00 H new ATOM 0 HG3 PRO A 11 7.220 -5.591 -6.742 1.00 0.00 H new ATOM 0 HD2 PRO A 11 8.259 -3.621 -8.779 1.00 0.00 H new ATOM 0 HD3 PRO A 11 9.139 -4.845 -7.886 1.00 0.00 H new ATOM 188 N VAL A 12 6.342 -4.680 -11.513 1.00 0.00 N ATOM 189 CA VAL A 12 5.811 -4.301 -12.812 1.00 0.00 C ATOM 190 C VAL A 12 6.236 -5.324 -13.853 1.00 0.00 C ATOM 191 O VAL A 12 5.438 -5.743 -14.689 1.00 0.00 O ATOM 192 CB VAL A 12 6.293 -2.902 -13.250 1.00 0.00 C ATOM 193 CG1 VAL A 12 5.688 -2.515 -14.592 1.00 0.00 C ATOM 194 CG2 VAL A 12 5.958 -1.865 -12.194 1.00 0.00 C ATOM 0 H VAL A 12 7.105 -4.090 -11.181 1.00 0.00 H new ATOM 0 HA VAL A 12 4.725 -4.270 -12.727 1.00 0.00 H new ATOM 0 HB VAL A 12 7.376 -2.938 -13.364 1.00 0.00 H new ATOM 0 HG11 VAL A 12 6.043 -1.525 -14.879 1.00 0.00 H new ATOM 0 HG12 VAL A 12 5.986 -3.241 -15.348 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.601 -2.501 -14.511 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.306 -0.886 -12.522 1.00 0.00 H new ATOM 0 HG22 VAL A 12 4.879 -1.835 -12.043 1.00 0.00 H new ATOM 0 HG23 VAL A 12 6.448 -2.129 -11.257 1.00 0.00 H new ATOM 204 N TRP A 13 7.495 -5.739 -13.774 1.00 0.00 N ATOM 205 CA TRP A 13 8.032 -6.739 -14.685 1.00 0.00 C ATOM 206 C TRP A 13 7.305 -8.065 -14.519 1.00 0.00 C ATOM 207 O TRP A 13 6.952 -8.708 -15.503 1.00 0.00 O ATOM 208 CB TRP A 13 9.535 -6.934 -14.467 1.00 0.00 C ATOM 209 CG TRP A 13 10.350 -5.703 -14.745 1.00 0.00 C ATOM 210 CD1 TRP A 13 11.390 -5.227 -14.004 1.00 0.00 C ATOM 211 CD2 TRP A 13 10.184 -4.786 -15.839 1.00 0.00 C ATOM 212 NE1 TRP A 13 11.888 -4.077 -14.569 1.00 0.00 N ATOM 213 CE2 TRP A 13 11.164 -3.788 -15.696 1.00 0.00 C ATOM 214 CE3 TRP A 13 9.305 -4.715 -16.927 1.00 0.00 C ATOM 215 CZ2 TRP A 13 11.287 -2.732 -16.596 1.00 0.00 C ATOM 216 CZ3 TRP A 13 9.431 -3.665 -17.817 1.00 0.00 C ATOM 217 CH2 TRP A 13 10.416 -2.689 -17.649 1.00 0.00 C ATOM 0 H TRP A 13 8.164 -5.396 -13.085 1.00 0.00 H new ATOM 0 HA TRP A 13 7.876 -6.378 -15.701 1.00 0.00 H new ATOM 0 HB2 TRP A 13 9.706 -7.247 -13.437 1.00 0.00 H new ATOM 0 HB3 TRP A 13 9.884 -7.743 -15.109 1.00 0.00 H new ATOM 0 HD1 TRP A 13 11.768 -5.687 -13.103 1.00 0.00 H new ATOM 0 HE1 TRP A 13 12.669 -3.529 -14.208 1.00 0.00 H new ATOM 0 HE3 TRP A 13 8.543 -5.467 -17.068 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 12.044 -1.973 -16.466 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 8.756 -3.598 -18.657 1.00 0.00 H new ATOM 0 HH2 TRP A 13 10.491 -1.884 -18.365 1.00 0.00 H new ATOM 228 N ASP A 14 7.069 -8.460 -13.269 1.00 0.00 N ATOM 229 CA ASP A 14 6.326 -9.685 -12.977 1.00 0.00 C ATOM 230 C ASP A 14 4.955 -9.655 -13.637 1.00 0.00 C ATOM 231 O ASP A 14 4.479 -10.664 -14.168 1.00 0.00 O ATOM 232 CB ASP A 14 6.160 -9.884 -11.465 1.00 0.00 C ATOM 233 CG ASP A 14 7.407 -10.430 -10.798 1.00 0.00 C ATOM 234 OD1 ASP A 14 7.699 -11.631 -10.973 1.00 0.00 O ATOM 235 OD2 ASP A 14 8.088 -9.671 -10.075 1.00 0.00 O ATOM 0 H ASP A 14 7.381 -7.950 -12.443 1.00 0.00 H new ATOM 0 HA ASP A 14 6.900 -10.519 -13.381 1.00 0.00 H new ATOM 0 HB2 ASP A 14 5.897 -8.931 -11.006 1.00 0.00 H new ATOM 0 HB3 ASP A 14 5.329 -10.566 -11.283 1.00 0.00 H new ATOM 240 N ARG A 15 4.326 -8.489 -13.615 1.00 0.00 N ATOM 241 CA ARG A 15 3.008 -8.328 -14.201 1.00 0.00 C ATOM 242 C ARG A 15 3.115 -8.263 -15.724 1.00 0.00 C ATOM 243 O ARG A 15 2.381 -8.942 -16.428 1.00 0.00 O ATOM 244 CB ARG A 15 2.338 -7.069 -13.645 1.00 0.00 C ATOM 245 CG ARG A 15 0.826 -7.060 -13.784 1.00 0.00 C ATOM 246 CD ARG A 15 0.211 -5.918 -12.992 1.00 0.00 C ATOM 247 NE ARG A 15 -1.242 -6.026 -12.901 1.00 0.00 N ATOM 248 CZ ARG A 15 -1.902 -6.264 -11.761 1.00 0.00 C ATOM 249 NH1 ARG A 15 -1.234 -6.459 -10.626 1.00 0.00 N ATOM 250 NH2 ARG A 15 -3.227 -6.308 -11.756 1.00 0.00 N ATOM 0 H ARG A 15 4.709 -7.641 -13.197 1.00 0.00 H new ATOM 0 HA ARG A 15 2.392 -9.188 -13.939 1.00 0.00 H new ATOM 0 HB2 ARG A 15 2.596 -6.968 -12.591 1.00 0.00 H new ATOM 0 HB3 ARG A 15 2.745 -6.197 -14.157 1.00 0.00 H new ATOM 0 HG2 ARG A 15 0.555 -6.965 -14.835 1.00 0.00 H new ATOM 0 HG3 ARG A 15 0.420 -8.009 -13.435 1.00 0.00 H new ATOM 0 HD2 ARG A 15 0.636 -5.905 -11.988 1.00 0.00 H new ATOM 0 HD3 ARG A 15 0.474 -4.970 -13.462 1.00 0.00 H new ATOM 0 HE ARG A 15 -1.786 -5.914 -13.756 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -0.214 -6.427 -10.622 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -1.742 -6.640 -9.760 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -3.745 -6.160 -12.622 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -3.728 -6.490 -10.886 1.00 0.00 H new ATOM 264 N TYR A 16 4.066 -7.473 -16.211 1.00 0.00 N ATOM 265 CA TYR A 16 4.284 -7.282 -17.649 1.00 0.00 C ATOM 266 C TYR A 16 4.675 -8.585 -18.341 1.00 0.00 C ATOM 267 O TYR A 16 4.167 -8.900 -19.413 1.00 0.00 O ATOM 268 CB TYR A 16 5.364 -6.211 -17.852 1.00 0.00 C ATOM 269 CG TYR A 16 5.820 -6.021 -19.285 1.00 0.00 C ATOM 270 CD1 TYR A 16 5.001 -5.412 -20.227 1.00 0.00 C ATOM 271 CD2 TYR A 16 7.082 -6.444 -19.685 1.00 0.00 C ATOM 272 CE1 TYR A 16 5.430 -5.229 -21.531 1.00 0.00 C ATOM 273 CE2 TYR A 16 7.515 -6.263 -20.982 1.00 0.00 C ATOM 274 CZ TYR A 16 6.689 -5.658 -21.903 1.00 0.00 C ATOM 275 OH TYR A 16 7.123 -5.489 -23.199 1.00 0.00 O ATOM 0 H TYR A 16 4.710 -6.944 -15.623 1.00 0.00 H new ATOM 0 HA TYR A 16 3.350 -6.953 -18.103 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.985 -5.260 -17.479 1.00 0.00 H new ATOM 0 HB3 TYR A 16 6.230 -6.470 -17.243 1.00 0.00 H new ATOM 0 HD1 TYR A 16 4.016 -5.076 -19.939 1.00 0.00 H new ATOM 0 HD2 TYR A 16 7.734 -6.922 -18.969 1.00 0.00 H new ATOM 0 HE1 TYR A 16 4.783 -4.753 -22.253 1.00 0.00 H new ATOM 0 HE2 TYR A 16 8.500 -6.595 -21.275 1.00 0.00 H new ATOM 0 HH TYR A 16 8.031 -5.846 -23.289 1.00 0.00 H new ATOM 285 N ASP A 17 5.564 -9.349 -17.722 1.00 0.00 N ATOM 286 CA ASP A 17 6.001 -10.618 -18.294 1.00 0.00 C ATOM 287 C ASP A 17 4.846 -11.604 -18.413 1.00 0.00 C ATOM 288 O ASP A 17 4.893 -12.519 -19.227 1.00 0.00 O ATOM 289 CB ASP A 17 7.141 -11.229 -17.476 1.00 0.00 C ATOM 290 CG ASP A 17 8.501 -10.908 -18.064 1.00 0.00 C ATOM 291 OD1 ASP A 17 8.940 -11.642 -18.977 1.00 0.00 O ATOM 292 OD2 ASP A 17 9.139 -9.927 -17.629 1.00 0.00 O ATOM 0 H ASP A 17 5.996 -9.115 -16.828 1.00 0.00 H new ATOM 0 HA ASP A 17 6.371 -10.409 -19.298 1.00 0.00 H new ATOM 0 HB2 ASP A 17 7.092 -10.857 -16.453 1.00 0.00 H new ATOM 0 HB3 ASP A 17 7.013 -12.310 -17.428 1.00 0.00 H new ATOM 297 N THR A 18 3.814 -11.410 -17.600 1.00 0.00 N ATOM 298 CA THR A 18 2.603 -12.224 -17.678 1.00 0.00 C ATOM 299 C THR A 18 1.610 -11.604 -18.662 1.00 0.00 C ATOM 300 O THR A 18 1.030 -12.295 -19.501 1.00 0.00 O ATOM 301 CB THR A 18 1.939 -12.344 -16.292 1.00 0.00 C ATOM 302 OG1 THR A 18 2.931 -12.652 -15.304 1.00 0.00 O ATOM 303 CG2 THR A 18 0.865 -13.424 -16.288 1.00 0.00 C ATOM 0 H THR A 18 3.790 -10.693 -16.875 1.00 0.00 H new ATOM 0 HA THR A 18 2.885 -13.218 -18.025 1.00 0.00 H new ATOM 0 HB THR A 18 1.468 -11.389 -16.058 1.00 0.00 H new ATOM 0 HG1 THR A 18 3.388 -11.829 -15.032 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.415 -13.486 -15.297 1.00 0.00 H new ATOM 0 HG22 THR A 18 0.097 -13.176 -17.021 1.00 0.00 H new ATOM 0 HG23 THR A 18 1.314 -14.384 -16.543 1.00 0.00 H new ATOM 311 N GLN A 19 1.442 -10.290 -18.552 1.00 0.00 N ATOM 312 CA GLN A 19 0.545 -9.510 -19.387 1.00 0.00 C ATOM 313 C GLN A 19 0.848 -9.714 -20.865 1.00 0.00 C ATOM 314 O GLN A 19 -0.062 -9.872 -21.678 1.00 0.00 O ATOM 315 CB GLN A 19 0.739 -8.054 -18.978 1.00 0.00 C ATOM 316 CG GLN A 19 -0.074 -7.030 -19.735 1.00 0.00 C ATOM 317 CD GLN A 19 -1.554 -7.339 -19.780 1.00 0.00 C ATOM 318 OE1 GLN A 19 -2.308 -6.994 -18.867 1.00 0.00 O ATOM 319 NE2 GLN A 19 -1.983 -7.957 -20.861 1.00 0.00 N ATOM 0 H GLN A 19 1.940 -9.728 -17.862 1.00 0.00 H new ATOM 0 HA GLN A 19 -0.490 -9.821 -19.247 1.00 0.00 H new ATOM 0 HB2 GLN A 19 0.502 -7.962 -17.918 1.00 0.00 H new ATOM 0 HB3 GLN A 19 1.794 -7.805 -19.092 1.00 0.00 H new ATOM 0 HG2 GLN A 19 0.070 -6.053 -19.274 1.00 0.00 H new ATOM 0 HG3 GLN A 19 0.305 -6.961 -20.755 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -1.323 -8.224 -21.592 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -2.975 -8.169 -20.968 1.00 0.00 H new ATOM 328 N ILE A 20 2.135 -9.744 -21.180 1.00 0.00 N ATOM 329 CA ILE A 20 2.621 -10.010 -22.529 1.00 0.00 C ATOM 330 C ILE A 20 1.920 -11.222 -23.168 1.00 0.00 C ATOM 331 O ILE A 20 1.749 -11.288 -24.390 1.00 0.00 O ATOM 332 CB ILE A 20 4.155 -10.238 -22.490 1.00 0.00 C ATOM 333 CG1 ILE A 20 4.899 -8.910 -22.647 1.00 0.00 C ATOM 334 CG2 ILE A 20 4.615 -11.234 -23.548 1.00 0.00 C ATOM 335 CD1 ILE A 20 6.404 -9.058 -22.641 1.00 0.00 C ATOM 0 H ILE A 20 2.879 -9.583 -20.501 1.00 0.00 H new ATOM 0 HA ILE A 20 2.390 -9.142 -23.146 1.00 0.00 H new ATOM 0 HB ILE A 20 4.393 -10.666 -21.516 1.00 0.00 H new ATOM 0 HG12 ILE A 20 4.592 -8.439 -23.581 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.604 -8.240 -21.839 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.696 -11.361 -23.482 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.126 -12.194 -23.382 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.353 -10.860 -24.538 1.00 0.00 H new ATOM 0 HD11 ILE A 20 6.866 -8.078 -22.756 1.00 0.00 H new ATOM 0 HD12 ILE A 20 6.722 -9.501 -21.697 1.00 0.00 H new ATOM 0 HD13 ILE A 20 6.710 -9.702 -23.465 1.00 0.00 H new ATOM 347 N HIS A 21 1.487 -12.160 -22.337 1.00 0.00 N ATOM 348 CA HIS A 21 0.862 -13.382 -22.821 1.00 0.00 C ATOM 349 C HIS A 21 -0.590 -13.150 -23.226 1.00 0.00 C ATOM 350 O HIS A 21 -1.037 -13.651 -24.256 1.00 0.00 O ATOM 351 CB HIS A 21 0.926 -14.476 -21.753 1.00 0.00 C ATOM 352 CG HIS A 21 2.308 -14.955 -21.453 1.00 0.00 C ATOM 353 ND1 HIS A 21 2.790 -16.176 -21.868 1.00 0.00 N ATOM 354 CD2 HIS A 21 3.307 -14.379 -20.751 1.00 0.00 C ATOM 355 CE1 HIS A 21 4.026 -16.331 -21.433 1.00 0.00 C ATOM 356 NE2 HIS A 21 4.365 -15.253 -20.751 1.00 0.00 N ATOM 0 H HIS A 21 1.558 -12.097 -21.321 1.00 0.00 H new ATOM 0 HA HIS A 21 1.417 -13.701 -23.703 1.00 0.00 H new ATOM 0 HB2 HIS A 21 0.476 -14.099 -20.834 1.00 0.00 H new ATOM 0 HB3 HIS A 21 0.322 -15.323 -22.079 1.00 0.00 H new ATOM 0 HD2 HIS A 21 3.279 -13.409 -20.277 1.00 0.00 H new ATOM 0 HE1 HIS A 21 4.653 -17.193 -21.606 1.00 0.00 H new ATOM 0 HE2 HIS A 21 5.265 -15.095 -20.298 1.00 0.00 H new ATOM 364 N ASN A 22 -1.319 -12.372 -22.436 1.00 0.00 N ATOM 365 CA ASN A 22 -2.758 -12.242 -22.638 1.00 0.00 C ATOM 366 C ASN A 22 -3.207 -10.789 -22.532 1.00 0.00 C ATOM 367 O ASN A 22 -3.355 -10.259 -21.433 1.00 0.00 O ATOM 368 CB ASN A 22 -3.507 -13.079 -21.600 1.00 0.00 C ATOM 369 CG ASN A 22 -4.963 -13.294 -21.970 1.00 0.00 C ATOM 370 OD1 ASN A 22 -5.828 -12.484 -21.642 1.00 0.00 O ATOM 371 ND2 ASN A 22 -5.244 -14.391 -22.651 1.00 0.00 N ATOM 0 H ASN A 22 -0.945 -11.828 -21.659 1.00 0.00 H new ATOM 0 HA ASN A 22 -2.987 -12.600 -23.642 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -3.015 -14.046 -21.494 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -3.451 -12.585 -20.630 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -6.207 -14.590 -22.923 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -4.498 -15.039 -22.905 1.00 0.00 H new ATOM 378 N GLN A 23 -3.427 -10.147 -23.675 1.00 0.00 N ATOM 379 CA GLN A 23 -3.867 -8.753 -23.701 1.00 0.00 C ATOM 380 C GLN A 23 -5.386 -8.649 -23.617 1.00 0.00 C ATOM 381 O GLN A 23 -5.945 -7.554 -23.656 1.00 0.00 O ATOM 382 CB GLN A 23 -3.386 -8.044 -24.972 1.00 0.00 C ATOM 383 CG GLN A 23 -1.892 -7.753 -24.997 1.00 0.00 C ATOM 384 CD GLN A 23 -1.037 -8.997 -25.159 1.00 0.00 C ATOM 385 OE1 GLN A 23 -1.440 -9.970 -25.798 1.00 0.00 O ATOM 386 NE2 GLN A 23 0.138 -8.987 -24.559 1.00 0.00 N ATOM 0 H GLN A 23 -3.308 -10.568 -24.596 1.00 0.00 H new ATOM 0 HA GLN A 23 -3.428 -8.266 -22.830 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -3.639 -8.659 -25.836 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -3.929 -7.105 -25.079 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -1.677 -7.065 -25.815 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -1.613 -7.247 -24.073 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.438 -8.163 -24.039 1.00 0.00 H new ATOM 0 HE22 GLN A 23 0.746 -9.804 -24.616 1.00 0.00 H new ATOM 395 N LYS A 24 -6.049 -9.789 -23.504 1.00 0.00 N ATOM 396 CA LYS A 24 -7.502 -9.814 -23.441 1.00 0.00 C ATOM 397 C LYS A 24 -7.984 -9.493 -22.033 1.00 0.00 C ATOM 398 O LYS A 24 -7.474 -10.038 -21.055 1.00 0.00 O ATOM 399 CB LYS A 24 -8.042 -11.180 -23.871 1.00 0.00 C ATOM 400 CG LYS A 24 -9.556 -11.280 -23.781 1.00 0.00 C ATOM 401 CD LYS A 24 -10.051 -12.670 -24.130 1.00 0.00 C ATOM 402 CE LYS A 24 -11.541 -12.804 -23.876 1.00 0.00 C ATOM 403 NZ LYS A 24 -12.033 -14.166 -24.207 1.00 0.00 N ATOM 0 H LYS A 24 -5.606 -10.706 -23.454 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.878 -9.055 -24.127 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.731 -11.380 -24.896 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.595 -11.953 -23.246 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -9.878 -11.022 -22.772 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -10.009 -10.553 -24.455 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -9.838 -12.882 -25.178 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -9.511 -13.410 -23.539 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -11.753 -12.584 -22.830 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -12.080 -12.067 -24.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -13.055 -14.221 -24.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -11.853 -14.366 -25.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -11.536 -14.867 -23.620 1.00 0.00 H new ATOM 417 N ASP A 25 -8.961 -8.604 -21.942 1.00 0.00 N ATOM 418 CA ASP A 25 -9.568 -8.257 -20.664 1.00 0.00 C ATOM 419 C ASP A 25 -10.954 -7.679 -20.891 1.00 0.00 C ATOM 420 O ASP A 25 -11.923 -8.073 -20.242 1.00 0.00 O ATOM 421 CB ASP A 25 -8.694 -7.262 -19.899 1.00 0.00 C ATOM 422 CG ASP A 25 -9.186 -7.041 -18.485 1.00 0.00 C ATOM 423 OD1 ASP A 25 -8.904 -7.892 -17.612 1.00 0.00 O ATOM 424 OD2 ASP A 25 -9.863 -6.026 -18.236 1.00 0.00 O ATOM 0 H ASP A 25 -9.353 -8.107 -22.742 1.00 0.00 H new ATOM 0 HA ASP A 25 -9.654 -9.162 -20.063 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -7.668 -7.628 -19.872 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -8.679 -6.310 -20.430 1.00 0.00 H new ATOM 429 N ASN A 26 -11.044 -6.745 -21.825 1.00 0.00 N ATOM 430 CA ASN A 26 -12.326 -6.192 -22.233 1.00 0.00 C ATOM 431 C ASN A 26 -12.689 -6.736 -23.607 1.00 0.00 C ATOM 432 O ASN A 26 -11.826 -6.847 -24.476 1.00 0.00 O ATOM 433 CB ASN A 26 -12.272 -4.661 -22.263 1.00 0.00 C ATOM 434 CG ASN A 26 -13.627 -4.033 -22.538 1.00 0.00 C ATOM 435 OD1 ASN A 26 -13.995 -3.801 -23.687 1.00 0.00 O ATOM 436 ND2 ASN A 26 -14.381 -3.759 -21.485 1.00 0.00 N ATOM 0 H ASN A 26 -10.241 -6.353 -22.317 1.00 0.00 H new ATOM 0 HA ASN A 26 -13.088 -6.486 -21.511 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -11.894 -4.296 -21.308 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -11.566 -4.341 -23.029 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -15.302 -3.341 -21.613 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -14.041 -3.966 -20.546 1.00 0.00 H new ATOM 443 N ASP A 27 -13.953 -7.088 -23.797 1.00 0.00 N ATOM 444 CA ASP A 27 -14.392 -7.728 -25.035 1.00 0.00 C ATOM 445 C ASP A 27 -14.841 -6.691 -26.055 1.00 0.00 C ATOM 446 O ASP A 27 -14.610 -6.844 -27.255 1.00 0.00 O ATOM 447 CB ASP A 27 -15.549 -8.702 -24.771 1.00 0.00 C ATOM 448 CG ASP A 27 -15.231 -9.743 -23.715 1.00 0.00 C ATOM 449 OD1 ASP A 27 -14.687 -10.812 -24.064 1.00 0.00 O ATOM 450 OD2 ASP A 27 -15.546 -9.504 -22.530 1.00 0.00 O ATOM 0 H ASP A 27 -14.694 -6.942 -23.112 1.00 0.00 H new ATOM 0 HA ASP A 27 -13.540 -8.280 -25.433 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -16.427 -8.136 -24.460 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -15.809 -9.207 -25.702 1.00 0.00 H new ATOM 455 N ASN A 28 -15.488 -5.638 -25.570 1.00 0.00 N ATOM 456 CA ASN A 28 -16.074 -4.630 -26.448 1.00 0.00 C ATOM 457 C ASN A 28 -14.995 -3.834 -27.173 1.00 0.00 C ATOM 458 O ASN A 28 -15.010 -3.725 -28.401 1.00 0.00 O ATOM 459 CB ASN A 28 -16.981 -3.685 -25.652 1.00 0.00 C ATOM 460 CG ASN A 28 -17.778 -2.749 -26.545 1.00 0.00 C ATOM 461 OD1 ASN A 28 -18.863 -3.100 -27.008 1.00 0.00 O ATOM 462 ND2 ASN A 28 -17.258 -1.554 -26.781 1.00 0.00 N ATOM 0 H ASN A 28 -15.621 -5.459 -24.575 1.00 0.00 H new ATOM 0 HA ASN A 28 -16.674 -5.149 -27.196 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -17.668 -4.273 -25.044 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -16.373 -3.096 -24.966 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -17.760 -0.886 -27.366 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -16.356 -1.302 -26.378 1.00 0.00 H new ATOM 469 N GLU A 29 -14.050 -3.298 -26.413 1.00 0.00 N ATOM 470 CA GLU A 29 -12.990 -2.481 -26.973 1.00 0.00 C ATOM 471 C GLU A 29 -11.693 -2.691 -26.221 1.00 0.00 C ATOM 472 O GLU A 29 -11.483 -2.132 -25.145 1.00 0.00 O ATOM 473 CB GLU A 29 -13.345 -0.989 -26.963 1.00 0.00 C ATOM 474 CG GLU A 29 -14.119 -0.528 -28.185 1.00 0.00 C ATOM 475 CD GLU A 29 -14.102 0.980 -28.336 1.00 0.00 C ATOM 476 OE1 GLU A 29 -13.042 1.531 -28.710 1.00 0.00 O ATOM 477 OE2 GLU A 29 -15.142 1.623 -28.085 1.00 0.00 O ATOM 0 H GLU A 29 -13.999 -3.417 -25.401 1.00 0.00 H new ATOM 0 HA GLU A 29 -12.867 -2.797 -28.009 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -13.933 -0.772 -26.071 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -12.426 -0.408 -26.888 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -13.693 -0.986 -29.078 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -15.150 -0.873 -28.112 1.00 0.00 H new ATOM 484 N VAL A 30 -10.849 -3.537 -26.778 1.00 0.00 N ATOM 485 CA VAL A 30 -9.474 -3.642 -26.335 1.00 0.00 C ATOM 486 C VAL A 30 -8.781 -2.285 -26.505 1.00 0.00 C ATOM 487 O VAL A 30 -9.238 -1.452 -27.292 1.00 0.00 O ATOM 488 CB VAL A 30 -8.714 -4.724 -27.133 1.00 0.00 C ATOM 489 CG1 VAL A 30 -9.310 -6.100 -26.868 1.00 0.00 C ATOM 490 CG2 VAL A 30 -8.731 -4.411 -28.624 1.00 0.00 C ATOM 0 H VAL A 30 -11.094 -4.165 -27.543 1.00 0.00 H new ATOM 0 HA VAL A 30 -9.468 -3.931 -25.284 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.676 -4.727 -26.799 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -8.762 -6.850 -27.439 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -9.238 -6.329 -25.805 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -10.357 -6.107 -27.171 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.190 -5.187 -29.165 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -9.762 -4.375 -28.976 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.254 -3.447 -28.799 1.00 0.00 H new ATOM 500 N PRO A 31 -7.694 -2.032 -25.758 1.00 0.00 N ATOM 501 CA PRO A 31 -6.986 -0.744 -25.804 1.00 0.00 C ATOM 502 C PRO A 31 -6.462 -0.408 -27.201 1.00 0.00 C ATOM 503 O PRO A 31 -5.406 -0.892 -27.615 1.00 0.00 O ATOM 504 CB PRO A 31 -5.821 -0.931 -24.826 1.00 0.00 C ATOM 505 CG PRO A 31 -6.229 -2.068 -23.951 1.00 0.00 C ATOM 506 CD PRO A 31 -7.066 -2.967 -24.811 1.00 0.00 C ATOM 0 HA PRO A 31 -7.647 0.083 -25.545 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.894 -1.153 -25.355 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.647 -0.027 -24.243 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -5.357 -2.597 -23.565 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -6.795 -1.714 -23.089 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -6.460 -3.714 -25.324 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -7.809 -3.508 -24.225 1.00 0.00 H new ATOM 514 N VAL A 32 -7.217 0.406 -27.930 1.00 0.00 N ATOM 515 CA VAL A 32 -6.816 0.830 -29.263 1.00 0.00 C ATOM 516 C VAL A 32 -5.986 2.096 -29.181 1.00 0.00 C ATOM 517 O VAL A 32 -4.820 2.107 -29.568 1.00 0.00 O ATOM 518 CB VAL A 32 -8.034 1.065 -30.185 1.00 0.00 C ATOM 519 CG1 VAL A 32 -7.589 1.517 -31.568 1.00 0.00 C ATOM 520 CG2 VAL A 32 -8.879 -0.194 -30.289 1.00 0.00 C ATOM 0 H VAL A 32 -8.111 0.785 -27.618 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.220 0.026 -29.695 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.641 1.856 -29.744 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -8.464 1.676 -32.198 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.029 2.448 -31.484 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.955 0.751 -32.014 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -9.731 -0.007 -30.942 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.276 -1.004 -30.701 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -9.236 -0.475 -29.298 1.00 0.00 H new ATOM 530 N HIS A 33 -6.614 3.159 -28.687 1.00 0.00 N ATOM 531 CA HIS A 33 -5.941 4.435 -28.411 1.00 0.00 C ATOM 532 C HIS A 33 -5.581 5.209 -29.675 1.00 0.00 C ATOM 533 O HIS A 33 -5.229 6.383 -29.591 1.00 0.00 O ATOM 534 CB HIS A 33 -4.680 4.213 -27.572 1.00 0.00 C ATOM 535 CG HIS A 33 -4.780 4.786 -26.201 1.00 0.00 C ATOM 536 ND1 HIS A 33 -3.926 5.751 -25.724 1.00 0.00 N ATOM 537 CD2 HIS A 33 -5.653 4.532 -25.202 1.00 0.00 C ATOM 538 CE1 HIS A 33 -4.269 6.074 -24.494 1.00 0.00 C ATOM 539 NE2 HIS A 33 -5.320 5.350 -24.147 1.00 0.00 N ATOM 0 H HIS A 33 -7.609 3.165 -28.464 1.00 0.00 H new ATOM 0 HA HIS A 33 -6.657 5.038 -27.853 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -4.484 3.143 -27.498 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -3.827 4.659 -28.084 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -3.146 6.155 -26.243 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -6.463 3.818 -25.227 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -3.775 6.807 -23.873 1.00 0.00 H new ATOM 547 N GLN A 34 -5.683 4.557 -30.830 1.00 0.00 N ATOM 548 CA GLN A 34 -5.259 5.149 -32.098 1.00 0.00 C ATOM 549 C GLN A 34 -3.772 5.488 -32.034 1.00 0.00 C ATOM 550 O GLN A 34 -3.387 6.648 -31.869 1.00 0.00 O ATOM 551 CB GLN A 34 -6.088 6.394 -32.439 1.00 0.00 C ATOM 552 CG GLN A 34 -7.575 6.107 -32.579 1.00 0.00 C ATOM 553 CD GLN A 34 -8.402 7.359 -32.808 1.00 0.00 C ATOM 554 OE1 GLN A 34 -7.930 8.342 -33.386 1.00 0.00 O ATOM 555 NE2 GLN A 34 -9.644 7.336 -32.349 1.00 0.00 N ATOM 0 H GLN A 34 -6.058 3.612 -30.915 1.00 0.00 H new ATOM 0 HA GLN A 34 -5.425 4.422 -32.893 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -5.941 7.144 -31.661 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -5.719 6.824 -33.370 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -7.730 5.419 -33.410 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -7.929 5.604 -31.679 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -9.998 6.504 -31.876 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -10.247 8.150 -32.468 1.00 0.00 H new ATOM 564 N VAL A 35 -2.945 4.457 -32.138 1.00 0.00 N ATOM 565 CA VAL A 35 -1.507 4.599 -31.961 1.00 0.00 C ATOM 566 C VAL A 35 -0.899 5.495 -33.035 1.00 0.00 C ATOM 567 O VAL A 35 -0.973 5.200 -34.229 1.00 0.00 O ATOM 568 CB VAL A 35 -0.798 3.231 -31.975 1.00 0.00 C ATOM 569 CG1 VAL A 35 0.699 3.388 -31.751 1.00 0.00 C ATOM 570 CG2 VAL A 35 -1.400 2.308 -30.927 1.00 0.00 C ATOM 0 H VAL A 35 -3.249 3.506 -32.346 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.356 5.063 -30.986 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.947 2.784 -32.958 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.174 2.407 -31.766 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.122 4.008 -32.541 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.875 3.862 -30.785 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.887 1.347 -30.951 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.286 2.755 -29.940 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.459 2.160 -31.138 1.00 0.00 H new ATOM 580 N SER A 36 -0.302 6.584 -32.585 1.00 0.00 N ATOM 581 CA SER A 36 0.341 7.547 -33.457 1.00 0.00 C ATOM 582 C SER A 36 1.473 8.206 -32.679 1.00 0.00 C ATOM 583 O SER A 36 1.611 7.951 -31.480 1.00 0.00 O ATOM 584 CB SER A 36 -0.683 8.590 -33.920 1.00 0.00 C ATOM 585 OG SER A 36 -0.147 9.446 -34.912 1.00 0.00 O ATOM 0 H SER A 36 -0.250 6.826 -31.595 1.00 0.00 H new ATOM 0 HA SER A 36 0.744 7.057 -34.343 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.565 8.084 -34.314 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.010 9.183 -33.066 1.00 0.00 H new ATOM 0 HG SER A 36 -0.827 10.097 -35.185 1.00 0.00 H new ATOM 591 N TYR A 37 2.268 9.050 -33.336 1.00 0.00 N ATOM 592 CA TYR A 37 3.382 9.727 -32.665 1.00 0.00 C ATOM 593 C TYR A 37 2.904 10.438 -31.401 1.00 0.00 C ATOM 594 O TYR A 37 3.503 10.296 -30.333 1.00 0.00 O ATOM 595 CB TYR A 37 4.063 10.737 -33.599 1.00 0.00 C ATOM 596 CG TYR A 37 4.945 11.719 -32.854 1.00 0.00 C ATOM 597 CD1 TYR A 37 6.145 11.314 -32.285 1.00 0.00 C ATOM 598 CD2 TYR A 37 4.555 13.042 -32.694 1.00 0.00 C ATOM 599 CE1 TYR A 37 6.933 12.204 -31.581 1.00 0.00 C ATOM 600 CE2 TYR A 37 5.333 13.934 -31.990 1.00 0.00 C ATOM 601 CZ TYR A 37 6.521 13.512 -31.436 1.00 0.00 C ATOM 602 OH TYR A 37 7.290 14.399 -30.721 1.00 0.00 O ATOM 0 H TYR A 37 2.165 9.281 -34.324 1.00 0.00 H new ATOM 0 HA TYR A 37 4.109 8.963 -32.390 1.00 0.00 H new ATOM 0 HB2 TYR A 37 4.664 10.200 -34.333 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.301 11.286 -34.152 1.00 0.00 H new ATOM 0 HD1 TYR A 37 6.467 10.289 -32.394 1.00 0.00 H new ATOM 0 HD2 TYR A 37 3.625 13.377 -33.129 1.00 0.00 H new ATOM 0 HE1 TYR A 37 7.866 11.877 -31.147 1.00 0.00 H new ATOM 0 HE2 TYR A 37 5.013 14.959 -31.873 1.00 0.00 H new ATOM 0 HH TYR A 37 6.857 15.278 -30.717 1.00 0.00 H new ATOM 612 N THR A 38 1.821 11.198 -31.537 1.00 0.00 N ATOM 613 CA THR A 38 1.241 11.928 -30.418 1.00 0.00 C ATOM 614 C THR A 38 0.926 10.986 -29.263 1.00 0.00 C ATOM 615 O THR A 38 1.203 11.285 -28.106 1.00 0.00 O ATOM 616 CB THR A 38 -0.060 12.631 -30.850 1.00 0.00 C ATOM 617 OG1 THR A 38 0.111 13.190 -32.163 1.00 0.00 O ATOM 618 CG2 THR A 38 -0.430 13.737 -29.871 1.00 0.00 C ATOM 0 H THR A 38 1.325 11.324 -32.420 1.00 0.00 H new ATOM 0 HA THR A 38 1.971 12.669 -30.093 1.00 0.00 H new ATOM 0 HB THR A 38 -0.864 11.895 -30.861 1.00 0.00 H new ATOM 0 HG1 THR A 38 -0.717 13.636 -32.439 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.352 14.218 -30.197 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.575 13.311 -28.878 1.00 0.00 H new ATOM 0 HG23 THR A 38 0.372 14.475 -29.835 1.00 0.00 H new ATOM 626 N ASN A 39 0.392 9.822 -29.605 1.00 0.00 N ATOM 627 CA ASN A 39 -0.119 8.893 -28.609 1.00 0.00 C ATOM 628 C ASN A 39 1.012 8.283 -27.796 1.00 0.00 C ATOM 629 O ASN A 39 0.887 8.109 -26.587 1.00 0.00 O ATOM 630 CB ASN A 39 -0.952 7.808 -29.284 1.00 0.00 C ATOM 631 CG ASN A 39 -2.193 7.482 -28.484 1.00 0.00 C ATOM 632 OD1 ASN A 39 -2.214 6.546 -27.685 1.00 0.00 O ATOM 633 ND2 ASN A 39 -3.225 8.286 -28.674 1.00 0.00 N ATOM 0 H ASN A 39 0.302 9.498 -30.568 1.00 0.00 H new ATOM 0 HA ASN A 39 -0.758 9.445 -27.919 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -1.238 8.137 -30.283 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -0.349 6.908 -29.405 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -4.086 8.143 -28.147 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -3.160 9.049 -29.348 1.00 0.00 H new ATOM 640 N LEU A 40 2.121 7.976 -28.460 1.00 0.00 N ATOM 641 CA LEU A 40 3.302 7.479 -27.766 1.00 0.00 C ATOM 642 C LEU A 40 3.763 8.499 -26.734 1.00 0.00 C ATOM 643 O LEU A 40 3.912 8.178 -25.554 1.00 0.00 O ATOM 644 CB LEU A 40 4.445 7.193 -28.749 1.00 0.00 C ATOM 645 CG LEU A 40 4.450 5.803 -29.401 1.00 0.00 C ATOM 646 CD1 LEU A 40 4.527 4.713 -28.346 1.00 0.00 C ATOM 647 CD2 LEU A 40 3.226 5.602 -30.277 1.00 0.00 C ATOM 0 H LEU A 40 2.226 8.062 -29.471 1.00 0.00 H new ATOM 0 HA LEU A 40 3.034 6.546 -27.270 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.411 7.942 -29.540 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.390 7.328 -28.223 1.00 0.00 H new ATOM 0 HG LEU A 40 5.335 5.738 -30.034 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.529 3.737 -28.831 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.442 4.832 -27.766 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.665 4.787 -27.683 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.258 4.609 -30.725 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.325 5.698 -29.671 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.215 6.355 -31.065 1.00 0.00 H new ATOM 659 N ALA A 41 3.949 9.736 -27.189 1.00 0.00 N ATOM 660 CA ALA A 41 4.450 10.811 -26.339 1.00 0.00 C ATOM 661 C ALA A 41 3.519 11.085 -25.159 1.00 0.00 C ATOM 662 O ALA A 41 3.979 11.432 -24.071 1.00 0.00 O ATOM 663 CB ALA A 41 4.652 12.078 -27.160 1.00 0.00 C ATOM 0 H ALA A 41 3.758 10.019 -28.150 1.00 0.00 H new ATOM 0 HA ALA A 41 5.408 10.490 -25.931 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.026 12.873 -26.515 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.373 11.886 -27.955 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.702 12.383 -27.598 1.00 0.00 H new ATOM 669 N GLU A 42 2.218 10.928 -25.379 1.00 0.00 N ATOM 670 CA GLU A 42 1.227 11.147 -24.330 1.00 0.00 C ATOM 671 C GLU A 42 1.465 10.227 -23.133 1.00 0.00 C ATOM 672 O GLU A 42 1.590 10.693 -21.999 1.00 0.00 O ATOM 673 CB GLU A 42 -0.187 10.954 -24.886 1.00 0.00 C ATOM 674 CG GLU A 42 -0.627 12.068 -25.823 1.00 0.00 C ATOM 675 CD GLU A 42 -0.731 13.413 -25.130 1.00 0.00 C ATOM 676 OE1 GLU A 42 0.307 14.092 -24.960 1.00 0.00 O ATOM 677 OE2 GLU A 42 -1.855 13.805 -24.763 1.00 0.00 O ATOM 0 H GLU A 42 1.824 10.649 -26.277 1.00 0.00 H new ATOM 0 HA GLU A 42 1.331 12.174 -23.981 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.233 10.003 -25.417 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.890 10.890 -24.055 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.081 12.143 -26.648 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.594 11.812 -26.256 1.00 0.00 H new ATOM 684 N MET A 43 1.549 8.924 -23.383 1.00 0.00 N ATOM 685 CA MET A 43 1.776 7.973 -22.301 1.00 0.00 C ATOM 686 C MET A 43 3.202 8.071 -21.764 1.00 0.00 C ATOM 687 O MET A 43 3.418 7.975 -20.558 1.00 0.00 O ATOM 688 CB MET A 43 1.479 6.538 -22.736 1.00 0.00 C ATOM 689 CG MET A 43 0.002 6.177 -22.719 1.00 0.00 C ATOM 690 SD MET A 43 -0.831 6.544 -24.272 1.00 0.00 S ATOM 691 CE MET A 43 -0.045 5.361 -25.368 1.00 0.00 C ATOM 0 H MET A 43 1.465 8.507 -24.310 1.00 0.00 H new ATOM 0 HA MET A 43 1.084 8.237 -21.501 1.00 0.00 H new ATOM 0 HB2 MET A 43 1.867 6.387 -23.743 1.00 0.00 H new ATOM 0 HB3 MET A 43 2.017 5.853 -22.081 1.00 0.00 H new ATOM 0 HG2 MET A 43 -0.104 5.115 -22.499 1.00 0.00 H new ATOM 0 HG3 MET A 43 -0.490 6.721 -21.912 1.00 0.00 H new ATOM 0 HE1 MET A 43 -0.703 5.154 -26.212 1.00 0.00 H new ATOM 0 HE2 MET A 43 0.896 5.773 -25.733 1.00 0.00 H new ATOM 0 HE3 MET A 43 0.150 4.436 -24.825 1.00 0.00 H new ATOM 701 N VAL A 44 4.177 8.277 -22.653 1.00 0.00 N ATOM 702 CA VAL A 44 5.574 8.420 -22.227 1.00 0.00 C ATOM 703 C VAL A 44 5.718 9.586 -21.250 1.00 0.00 C ATOM 704 O VAL A 44 6.495 9.521 -20.289 1.00 0.00 O ATOM 705 CB VAL A 44 6.532 8.628 -23.428 1.00 0.00 C ATOM 706 CG1 VAL A 44 7.943 8.957 -22.956 1.00 0.00 C ATOM 707 CG2 VAL A 44 6.552 7.394 -24.313 1.00 0.00 C ATOM 0 H VAL A 44 4.030 8.348 -23.660 1.00 0.00 H new ATOM 0 HA VAL A 44 5.853 7.490 -21.732 1.00 0.00 H new ATOM 0 HB VAL A 44 6.161 9.473 -24.008 1.00 0.00 H new ATOM 0 HG11 VAL A 44 8.592 9.097 -23.820 1.00 0.00 H new ATOM 0 HG12 VAL A 44 7.924 9.872 -22.364 1.00 0.00 H new ATOM 0 HG13 VAL A 44 8.323 8.137 -22.346 1.00 0.00 H new ATOM 0 HG21 VAL A 44 7.230 7.558 -25.151 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.893 6.536 -23.733 1.00 0.00 H new ATOM 0 HG23 VAL A 44 5.548 7.201 -24.691 1.00 0.00 H new ATOM 717 N GLY A 45 4.944 10.636 -21.489 1.00 0.00 N ATOM 718 CA GLY A 45 4.958 11.787 -20.615 1.00 0.00 C ATOM 719 C GLY A 45 4.520 11.453 -19.203 1.00 0.00 C ATOM 720 O GLY A 45 5.188 11.831 -18.238 1.00 0.00 O ATOM 0 H GLY A 45 4.303 10.709 -22.279 1.00 0.00 H new ATOM 0 HA2 GLY A 45 5.964 12.207 -20.590 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.302 12.556 -21.023 1.00 0.00 H new ATOM 724 N GLU A 46 3.418 10.718 -19.069 1.00 0.00 N ATOM 725 CA GLU A 46 2.887 10.415 -17.748 1.00 0.00 C ATOM 726 C GLU A 46 3.726 9.346 -17.048 1.00 0.00 C ATOM 727 O GLU A 46 3.858 9.359 -15.825 1.00 0.00 O ATOM 728 CB GLU A 46 1.415 9.989 -17.804 1.00 0.00 C ATOM 729 CG GLU A 46 1.172 8.637 -18.449 1.00 0.00 C ATOM 730 CD GLU A 46 -0.215 8.113 -18.154 1.00 0.00 C ATOM 731 OE1 GLU A 46 -0.459 7.694 -17.005 1.00 0.00 O ATOM 732 OE2 GLU A 46 -1.076 8.132 -19.059 1.00 0.00 O ATOM 0 H GLU A 46 2.885 10.328 -19.846 1.00 0.00 H new ATOM 0 HA GLU A 46 2.942 11.335 -17.166 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.017 9.969 -16.789 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.852 10.745 -18.352 1.00 0.00 H new ATOM 0 HG2 GLU A 46 1.307 8.720 -19.527 1.00 0.00 H new ATOM 0 HG3 GLU A 46 1.914 7.924 -18.089 1.00 0.00 H new ATOM 739 N MET A 47 4.315 8.440 -17.826 1.00 0.00 N ATOM 740 CA MET A 47 5.174 7.391 -17.272 1.00 0.00 C ATOM 741 C MET A 47 6.323 8.004 -16.484 1.00 0.00 C ATOM 742 O MET A 47 6.699 7.510 -15.423 1.00 0.00 O ATOM 743 CB MET A 47 5.739 6.494 -18.383 1.00 0.00 C ATOM 744 CG MET A 47 4.707 5.638 -19.111 1.00 0.00 C ATOM 745 SD MET A 47 4.061 4.271 -18.120 1.00 0.00 S ATOM 746 CE MET A 47 2.734 5.059 -17.212 1.00 0.00 C ATOM 0 H MET A 47 4.214 8.410 -18.841 1.00 0.00 H new ATOM 0 HA MET A 47 4.563 6.781 -16.606 1.00 0.00 H new ATOM 0 HB2 MET A 47 6.247 7.123 -19.114 1.00 0.00 H new ATOM 0 HB3 MET A 47 6.493 5.837 -17.950 1.00 0.00 H new ATOM 0 HG2 MET A 47 3.877 6.273 -19.422 1.00 0.00 H new ATOM 0 HG3 MET A 47 5.158 5.235 -20.018 1.00 0.00 H new ATOM 0 HE1 MET A 47 2.881 4.901 -16.143 1.00 0.00 H new ATOM 0 HE2 MET A 47 2.733 6.128 -17.424 1.00 0.00 H new ATOM 0 HE3 MET A 47 1.780 4.628 -17.515 1.00 0.00 H new ATOM 756 N ASN A 48 6.856 9.107 -16.996 1.00 0.00 N ATOM 757 CA ASN A 48 8.001 9.761 -16.374 1.00 0.00 C ATOM 758 C ASN A 48 7.604 10.532 -15.119 1.00 0.00 C ATOM 759 O ASN A 48 8.424 10.723 -14.222 1.00 0.00 O ATOM 760 CB ASN A 48 8.704 10.698 -17.365 1.00 0.00 C ATOM 761 CG ASN A 48 9.686 9.972 -18.270 1.00 0.00 C ATOM 762 OD1 ASN A 48 10.859 9.808 -17.929 1.00 0.00 O ATOM 763 ND2 ASN A 48 9.224 9.540 -19.431 1.00 0.00 N ATOM 0 H ASN A 48 6.514 9.567 -17.840 1.00 0.00 H new ATOM 0 HA ASN A 48 8.694 8.973 -16.079 1.00 0.00 H new ATOM 0 HB2 ASN A 48 7.955 11.199 -17.978 1.00 0.00 H new ATOM 0 HB3 ASN A 48 9.233 11.474 -16.811 1.00 0.00 H new ATOM 0 HD21 ASN A 48 9.845 9.053 -20.078 1.00 0.00 H new ATOM 0 HD22 ASN A 48 8.247 9.694 -19.680 1.00 0.00 H new ATOM 770 N LYS A 49 6.347 10.964 -15.038 1.00 0.00 N ATOM 771 CA LYS A 49 5.900 11.745 -13.888 1.00 0.00 C ATOM 772 C LYS A 49 5.281 10.858 -12.809 1.00 0.00 C ATOM 773 O LYS A 49 4.953 11.328 -11.719 1.00 0.00 O ATOM 774 CB LYS A 49 4.929 12.861 -14.317 1.00 0.00 C ATOM 775 CG LYS A 49 3.657 12.396 -15.015 1.00 0.00 C ATOM 776 CD LYS A 49 2.604 11.838 -14.057 1.00 0.00 C ATOM 777 CE LYS A 49 2.019 12.901 -13.129 1.00 0.00 C ATOM 778 NZ LYS A 49 2.973 13.336 -12.072 1.00 0.00 N ATOM 0 H LYS A 49 5.631 10.790 -15.743 1.00 0.00 H new ATOM 0 HA LYS A 49 6.781 12.217 -13.453 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.648 13.433 -13.433 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.459 13.543 -14.983 1.00 0.00 H new ATOM 0 HG2 LYS A 49 3.228 13.233 -15.566 1.00 0.00 H new ATOM 0 HG3 LYS A 49 3.913 11.630 -15.747 1.00 0.00 H new ATOM 0 HD2 LYS A 49 1.799 11.385 -14.635 1.00 0.00 H new ATOM 0 HD3 LYS A 49 3.050 11.045 -13.457 1.00 0.00 H new ATOM 0 HE2 LYS A 49 1.720 13.767 -13.720 1.00 0.00 H new ATOM 0 HE3 LYS A 49 1.117 12.509 -12.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 2.451 13.541 -11.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 3.663 12.579 -11.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 3.472 14.192 -12.386 1.00 0.00 H new ATOM 792 N LEU A 50 5.104 9.581 -13.121 1.00 0.00 N ATOM 793 CA LEU A 50 4.588 8.626 -12.147 1.00 0.00 C ATOM 794 C LEU A 50 5.722 8.049 -11.314 1.00 0.00 C ATOM 795 O LEU A 50 5.512 7.578 -10.199 1.00 0.00 O ATOM 796 CB LEU A 50 3.817 7.501 -12.845 1.00 0.00 C ATOM 797 CG LEU A 50 2.470 7.909 -13.449 1.00 0.00 C ATOM 798 CD1 LEU A 50 1.806 6.718 -14.120 1.00 0.00 C ATOM 799 CD2 LEU A 50 1.559 8.490 -12.377 1.00 0.00 C ATOM 0 H LEU A 50 5.309 9.183 -14.037 1.00 0.00 H new ATOM 0 HA LEU A 50 3.902 9.154 -11.485 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.443 7.091 -13.638 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.647 6.699 -12.127 1.00 0.00 H new ATOM 0 HG LEU A 50 2.649 8.676 -14.203 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.850 7.025 -14.544 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.451 6.342 -14.914 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.640 5.931 -13.384 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.606 8.774 -12.824 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.387 7.743 -11.602 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.030 9.369 -11.937 1.00 0.00 H new ATOM 811 N LEU A 51 6.931 8.120 -11.848 1.00 0.00 N ATOM 812 CA LEU A 51 8.082 7.509 -11.203 1.00 0.00 C ATOM 813 C LEU A 51 9.071 8.557 -10.710 1.00 0.00 C ATOM 814 O LEU A 51 10.195 8.223 -10.337 1.00 0.00 O ATOM 815 CB LEU A 51 8.777 6.552 -12.175 1.00 0.00 C ATOM 816 CG LEU A 51 7.999 5.277 -12.505 1.00 0.00 C ATOM 817 CD1 LEU A 51 8.675 4.527 -13.643 1.00 0.00 C ATOM 818 CD2 LEU A 51 7.893 4.390 -11.275 1.00 0.00 C ATOM 0 H LEU A 51 7.141 8.595 -12.726 1.00 0.00 H new ATOM 0 HA LEU A 51 7.724 6.954 -10.336 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.978 7.086 -13.104 1.00 0.00 H new ATOM 0 HB3 LEU A 51 9.742 6.270 -11.754 1.00 0.00 H new ATOM 0 HG LEU A 51 6.993 5.554 -12.820 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.111 3.622 -13.868 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.709 5.162 -14.528 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.690 4.259 -13.350 1.00 0.00 H new ATOM 0 HD21 LEU A 51 7.337 3.486 -11.525 1.00 0.00 H new ATOM 0 HD22 LEU A 51 8.892 4.119 -10.935 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.374 4.928 -10.482 1.00 0.00 H new ATOM 830 N GLU A 52 8.656 9.821 -10.691 1.00 0.00 N ATOM 831 CA GLU A 52 9.552 10.888 -10.258 1.00 0.00 C ATOM 832 C GLU A 52 9.729 10.951 -8.723 1.00 0.00 C ATOM 833 O GLU A 52 10.831 11.237 -8.258 1.00 0.00 O ATOM 834 CB GLU A 52 9.146 12.249 -10.833 1.00 0.00 C ATOM 835 CG GLU A 52 7.763 12.698 -10.455 1.00 0.00 C ATOM 836 CD GLU A 52 7.413 14.060 -11.015 1.00 0.00 C ATOM 837 OE1 GLU A 52 7.792 15.077 -10.399 1.00 0.00 O ATOM 838 OE2 GLU A 52 6.752 14.122 -12.070 1.00 0.00 O ATOM 0 H GLU A 52 7.723 10.127 -10.965 1.00 0.00 H new ATOM 0 HA GLU A 52 10.530 10.635 -10.668 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.862 12.999 -10.498 1.00 0.00 H new ATOM 0 HB3 GLU A 52 9.216 12.205 -11.920 1.00 0.00 H new ATOM 0 HG2 GLU A 52 7.038 11.966 -10.813 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.679 12.725 -9.369 1.00 0.00 H new ATOM 845 N PRO A 53 8.680 10.682 -7.894 1.00 0.00 N ATOM 846 CA PRO A 53 8.840 10.643 -6.431 1.00 0.00 C ATOM 847 C PRO A 53 9.447 9.325 -5.951 1.00 0.00 C ATOM 848 O PRO A 53 9.632 9.108 -4.754 1.00 0.00 O ATOM 849 CB PRO A 53 7.404 10.774 -5.926 1.00 0.00 C ATOM 850 CG PRO A 53 6.593 10.106 -6.977 1.00 0.00 C ATOM 851 CD PRO A 53 7.272 10.434 -8.281 1.00 0.00 C ATOM 0 HA PRO A 53 9.514 11.419 -6.070 1.00 0.00 H new ATOM 0 HB2 PRO A 53 7.276 10.293 -4.956 1.00 0.00 H new ATOM 0 HB3 PRO A 53 7.117 11.818 -5.804 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.553 9.029 -6.816 1.00 0.00 H new ATOM 0 HG3 PRO A 53 5.565 10.468 -6.968 1.00 0.00 H new ATOM 0 HD2 PRO A 53 7.191 9.612 -8.992 1.00 0.00 H new ATOM 0 HD3 PRO A 53 6.827 11.309 -8.754 1.00 0.00 H new ATOM 859 N SER A 54 9.742 8.449 -6.897 1.00 0.00 N ATOM 860 CA SER A 54 10.277 7.137 -6.588 1.00 0.00 C ATOM 861 C SER A 54 11.805 7.156 -6.568 1.00 0.00 C ATOM 862 O SER A 54 12.429 8.210 -6.709 1.00 0.00 O ATOM 863 CB SER A 54 9.769 6.127 -7.614 1.00 0.00 C ATOM 864 OG SER A 54 8.357 6.163 -7.703 1.00 0.00 O ATOM 0 H SER A 54 9.618 8.627 -7.894 1.00 0.00 H new ATOM 0 HA SER A 54 9.937 6.846 -5.594 1.00 0.00 H new ATOM 0 HB2 SER A 54 10.204 6.344 -8.590 1.00 0.00 H new ATOM 0 HB3 SER A 54 10.094 5.125 -7.335 1.00 0.00 H new ATOM 0 HG SER A 54 8.073 5.769 -8.554 1.00 0.00 H new ATOM 870 N GLN A 55 12.399 5.986 -6.387 1.00 0.00 N ATOM 871 CA GLN A 55 13.851 5.854 -6.353 1.00 0.00 C ATOM 872 C GLN A 55 14.325 4.984 -7.512 1.00 0.00 C ATOM 873 O GLN A 55 15.475 4.543 -7.547 1.00 0.00 O ATOM 874 CB GLN A 55 14.293 5.237 -5.026 1.00 0.00 C ATOM 875 CG GLN A 55 13.803 5.997 -3.806 1.00 0.00 C ATOM 876 CD GLN A 55 14.332 5.424 -2.507 1.00 0.00 C ATOM 877 OE1 GLN A 55 15.428 4.863 -2.459 1.00 0.00 O ATOM 878 NE2 GLN A 55 13.555 5.559 -1.445 1.00 0.00 N ATOM 0 H GLN A 55 11.895 5.108 -6.260 1.00 0.00 H new ATOM 0 HA GLN A 55 14.295 6.845 -6.448 1.00 0.00 H new ATOM 0 HB2 GLN A 55 13.930 4.211 -4.974 1.00 0.00 H new ATOM 0 HB3 GLN A 55 15.382 5.191 -5.002 1.00 0.00 H new ATOM 0 HG2 GLN A 55 14.106 7.041 -3.888 1.00 0.00 H new ATOM 0 HG3 GLN A 55 12.713 5.982 -3.788 1.00 0.00 H new ATOM 0 HE21 GLN A 55 12.654 6.031 -1.529 1.00 0.00 H new ATOM 0 HE22 GLN A 55 13.856 5.192 -0.542 1.00 0.00 H new ATOM 887 N VAL A 56 13.432 4.759 -8.468 1.00 0.00 N ATOM 888 CA VAL A 56 13.718 3.897 -9.607 1.00 0.00 C ATOM 889 C VAL A 56 14.775 4.529 -10.507 1.00 0.00 C ATOM 890 O VAL A 56 15.714 3.859 -10.938 1.00 0.00 O ATOM 891 CB VAL A 56 12.445 3.618 -10.439 1.00 0.00 C ATOM 892 CG1 VAL A 56 12.728 2.610 -11.542 1.00 0.00 C ATOM 893 CG2 VAL A 56 11.315 3.128 -9.547 1.00 0.00 C ATOM 0 H VAL A 56 12.497 5.165 -8.476 1.00 0.00 H new ATOM 0 HA VAL A 56 14.092 2.953 -9.211 1.00 0.00 H new ATOM 0 HB VAL A 56 12.135 4.554 -10.904 1.00 0.00 H new ATOM 0 HG11 VAL A 56 11.817 2.430 -12.113 1.00 0.00 H new ATOM 0 HG12 VAL A 56 13.500 3.002 -12.204 1.00 0.00 H new ATOM 0 HG13 VAL A 56 13.070 1.674 -11.100 1.00 0.00 H new ATOM 0 HG21 VAL A 56 10.429 2.938 -10.153 1.00 0.00 H new ATOM 0 HG22 VAL A 56 11.618 2.207 -9.049 1.00 0.00 H new ATOM 0 HG23 VAL A 56 11.087 3.887 -8.799 1.00 0.00 H new ATOM 903 N HIS A 57 14.616 5.826 -10.765 1.00 0.00 N ATOM 904 CA HIS A 57 15.512 6.573 -11.650 1.00 0.00 C ATOM 905 C HIS A 57 15.588 5.920 -13.026 1.00 0.00 C ATOM 906 O HIS A 57 16.575 5.263 -13.367 1.00 0.00 O ATOM 907 CB HIS A 57 16.914 6.702 -11.045 1.00 0.00 C ATOM 908 CG HIS A 57 16.952 7.448 -9.745 1.00 0.00 C ATOM 909 ND1 HIS A 57 16.676 8.791 -9.640 1.00 0.00 N ATOM 910 CD2 HIS A 57 17.227 7.026 -8.488 1.00 0.00 C ATOM 911 CE1 HIS A 57 16.783 9.165 -8.379 1.00 0.00 C ATOM 912 NE2 HIS A 57 17.114 8.112 -7.658 1.00 0.00 N ATOM 0 H HIS A 57 13.864 6.389 -10.368 1.00 0.00 H new ATOM 0 HA HIS A 57 15.098 7.575 -11.764 1.00 0.00 H new ATOM 0 HB2 HIS A 57 17.325 5.704 -10.892 1.00 0.00 H new ATOM 0 HB3 HIS A 57 17.562 7.207 -11.761 1.00 0.00 H new ATOM 0 HD2 HIS A 57 17.487 6.020 -8.193 1.00 0.00 H new ATOM 0 HE1 HIS A 57 16.626 10.165 -8.001 1.00 0.00 H new ATOM 0 HE2 HIS A 57 17.262 8.106 -6.649 1.00 0.00 H new ATOM 920 N LEU A 58 14.527 6.076 -13.798 1.00 0.00 N ATOM 921 CA LEU A 58 14.469 5.518 -15.136 1.00 0.00 C ATOM 922 C LEU A 58 14.261 6.608 -16.178 1.00 0.00 C ATOM 923 O LEU A 58 13.650 7.641 -15.900 1.00 0.00 O ATOM 924 CB LEU A 58 13.348 4.486 -15.221 1.00 0.00 C ATOM 925 CG LEU A 58 13.804 3.086 -15.608 1.00 0.00 C ATOM 926 CD1 LEU A 58 14.787 2.537 -14.584 1.00 0.00 C ATOM 927 CD2 LEU A 58 12.611 2.160 -15.746 1.00 0.00 C ATOM 0 H LEU A 58 13.690 6.588 -13.518 1.00 0.00 H new ATOM 0 HA LEU A 58 15.422 5.031 -15.345 1.00 0.00 H new ATOM 0 HB2 LEU A 58 12.844 4.436 -14.256 1.00 0.00 H new ATOM 0 HB3 LEU A 58 12.611 4.828 -15.948 1.00 0.00 H new ATOM 0 HG LEU A 58 14.311 3.146 -16.571 1.00 0.00 H new ATOM 0 HD11 LEU A 58 15.100 1.536 -14.880 1.00 0.00 H new ATOM 0 HD12 LEU A 58 15.659 3.189 -14.531 1.00 0.00 H new ATOM 0 HD13 LEU A 58 14.307 2.493 -13.606 1.00 0.00 H new ATOM 0 HD21 LEU A 58 12.954 1.163 -16.023 1.00 0.00 H new ATOM 0 HD22 LEU A 58 12.078 2.109 -14.797 1.00 0.00 H new ATOM 0 HD23 LEU A 58 11.942 2.541 -16.518 1.00 0.00 H new ATOM 939 N LYS A 59 14.789 6.377 -17.370 1.00 0.00 N ATOM 940 CA LYS A 59 14.657 7.312 -18.479 1.00 0.00 C ATOM 941 C LYS A 59 13.942 6.610 -19.628 1.00 0.00 C ATOM 942 O LYS A 59 14.088 5.400 -19.801 1.00 0.00 O ATOM 943 CB LYS A 59 16.033 7.795 -18.967 1.00 0.00 C ATOM 944 CG LYS A 59 17.177 7.571 -17.981 1.00 0.00 C ATOM 945 CD LYS A 59 17.121 8.519 -16.792 1.00 0.00 C ATOM 946 CE LYS A 59 17.529 9.936 -17.169 1.00 0.00 C ATOM 947 NZ LYS A 59 17.678 10.794 -15.966 1.00 0.00 N ATOM 0 H LYS A 59 15.321 5.537 -17.597 1.00 0.00 H new ATOM 0 HA LYS A 59 14.090 8.178 -18.139 1.00 0.00 H new ATOM 0 HB2 LYS A 59 16.271 7.285 -19.900 1.00 0.00 H new ATOM 0 HB3 LYS A 59 15.970 8.860 -19.193 1.00 0.00 H new ATOM 0 HG2 LYS A 59 17.146 6.542 -17.622 1.00 0.00 H new ATOM 0 HG3 LYS A 59 18.128 7.699 -18.498 1.00 0.00 H new ATOM 0 HD2 LYS A 59 16.110 8.530 -16.385 1.00 0.00 H new ATOM 0 HD3 LYS A 59 17.778 8.151 -16.004 1.00 0.00 H new ATOM 0 HE2 LYS A 59 18.470 9.911 -17.719 1.00 0.00 H new ATOM 0 HE3 LYS A 59 16.781 10.367 -17.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 17.704 11.793 -16.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 16.873 10.638 -15.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 18.562 10.552 -15.475 1.00 0.00 H new ATOM 961 N PHE A 60 13.172 7.352 -20.404 1.00 0.00 N ATOM 962 CA PHE A 60 12.476 6.780 -21.550 1.00 0.00 C ATOM 963 C PHE A 60 12.753 7.615 -22.793 1.00 0.00 C ATOM 964 O PHE A 60 12.549 8.827 -22.778 1.00 0.00 O ATOM 965 CB PHE A 60 10.964 6.721 -21.292 1.00 0.00 C ATOM 966 CG PHE A 60 10.573 5.866 -20.119 1.00 0.00 C ATOM 967 CD1 PHE A 60 10.369 4.504 -20.275 1.00 0.00 C ATOM 968 CD2 PHE A 60 10.406 6.425 -18.860 1.00 0.00 C ATOM 969 CE1 PHE A 60 10.005 3.717 -19.197 1.00 0.00 C ATOM 970 CE2 PHE A 60 10.042 5.642 -17.780 1.00 0.00 C ATOM 971 CZ PHE A 60 9.841 4.287 -17.949 1.00 0.00 C ATOM 0 H PHE A 60 13.011 8.350 -20.265 1.00 0.00 H new ATOM 0 HA PHE A 60 12.842 5.765 -21.705 1.00 0.00 H new ATOM 0 HB2 PHE A 60 10.595 7.733 -21.129 1.00 0.00 H new ATOM 0 HB3 PHE A 60 10.469 6.341 -22.186 1.00 0.00 H new ATOM 0 HD1 PHE A 60 10.495 4.053 -21.248 1.00 0.00 H new ATOM 0 HD2 PHE A 60 10.562 7.485 -18.722 1.00 0.00 H new ATOM 0 HE1 PHE A 60 9.849 2.657 -19.331 1.00 0.00 H new ATOM 0 HE2 PHE A 60 9.915 6.090 -16.806 1.00 0.00 H new ATOM 0 HZ PHE A 60 9.556 3.673 -17.107 1.00 0.00 H new ATOM 981 N GLU A 61 13.235 6.982 -23.858 1.00 0.00 N ATOM 982 CA GLU A 61 13.472 7.692 -25.104 1.00 0.00 C ATOM 983 C GLU A 61 12.628 7.093 -26.221 1.00 0.00 C ATOM 984 O GLU A 61 12.546 5.871 -26.360 1.00 0.00 O ATOM 985 CB GLU A 61 14.957 7.643 -25.477 1.00 0.00 C ATOM 986 CG GLU A 61 15.571 9.015 -25.725 1.00 0.00 C ATOM 987 CD GLU A 61 14.978 9.720 -26.929 1.00 0.00 C ATOM 988 OE1 GLU A 61 13.821 10.174 -26.844 1.00 0.00 O ATOM 989 OE2 GLU A 61 15.674 9.830 -27.962 1.00 0.00 O ATOM 0 H GLU A 61 13.466 5.989 -23.881 1.00 0.00 H new ATOM 0 HA GLU A 61 13.184 8.734 -24.967 1.00 0.00 H new ATOM 0 HB2 GLU A 61 15.507 7.147 -24.677 1.00 0.00 H new ATOM 0 HB3 GLU A 61 15.078 7.033 -26.372 1.00 0.00 H new ATOM 0 HG2 GLU A 61 15.429 9.636 -24.841 1.00 0.00 H new ATOM 0 HG3 GLU A 61 16.646 8.906 -25.868 1.00 0.00 H new ATOM 996 N LEU A 62 12.011 7.952 -27.013 1.00 0.00 N ATOM 997 CA LEU A 62 11.157 7.513 -28.103 1.00 0.00 C ATOM 998 C LEU A 62 11.894 7.625 -29.430 1.00 0.00 C ATOM 999 O LEU A 62 12.118 8.724 -29.943 1.00 0.00 O ATOM 1000 CB LEU A 62 9.873 8.345 -28.142 1.00 0.00 C ATOM 1001 CG LEU A 62 8.887 7.977 -29.253 1.00 0.00 C ATOM 1002 CD1 LEU A 62 8.366 6.561 -29.066 1.00 0.00 C ATOM 1003 CD2 LEU A 62 7.731 8.964 -29.285 1.00 0.00 C ATOM 0 H LEU A 62 12.086 8.965 -26.921 1.00 0.00 H new ATOM 0 HA LEU A 62 10.892 6.469 -27.936 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.366 8.246 -27.182 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.144 9.395 -28.253 1.00 0.00 H new ATOM 0 HG LEU A 62 9.415 8.025 -30.206 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.667 6.322 -29.867 1.00 0.00 H new ATOM 0 HD12 LEU A 62 9.200 5.860 -29.091 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.857 6.485 -28.105 1.00 0.00 H new ATOM 0 HD21 LEU A 62 7.039 8.688 -30.081 1.00 0.00 H new ATOM 0 HD22 LEU A 62 7.210 8.945 -28.328 1.00 0.00 H new ATOM 0 HD23 LEU A 62 8.114 9.968 -29.469 1.00 0.00 H new ATOM 1015 N HIS A 63 12.282 6.488 -29.976 1.00 0.00 N ATOM 1016 CA HIS A 63 13.000 6.467 -31.239 1.00 0.00 C ATOM 1017 C HIS A 63 12.104 5.955 -32.350 1.00 0.00 C ATOM 1018 O HIS A 63 11.271 5.071 -32.138 1.00 0.00 O ATOM 1019 CB HIS A 63 14.271 5.623 -31.139 1.00 0.00 C ATOM 1020 CG HIS A 63 15.418 6.351 -30.511 1.00 0.00 C ATOM 1021 ND1 HIS A 63 16.460 6.881 -31.238 1.00 0.00 N ATOM 1022 CD2 HIS A 63 15.688 6.634 -29.213 1.00 0.00 C ATOM 1023 CE1 HIS A 63 17.320 7.454 -30.419 1.00 0.00 C ATOM 1024 NE2 HIS A 63 16.878 7.318 -29.184 1.00 0.00 N ATOM 0 H HIS A 63 12.113 5.569 -29.567 1.00 0.00 H new ATOM 0 HA HIS A 63 13.296 7.489 -31.475 1.00 0.00 H new ATOM 0 HB2 HIS A 63 14.058 4.725 -30.558 1.00 0.00 H new ATOM 0 HB3 HIS A 63 14.561 5.295 -32.137 1.00 0.00 H new ATOM 0 HD2 HIS A 63 15.080 6.370 -28.360 1.00 0.00 H new ATOM 0 HE1 HIS A 63 18.233 7.951 -30.711 1.00 0.00 H new ATOM 0 HE2 HIS A 63 17.344 7.664 -28.345 1.00 0.00 H new ATOM 1032 N ASP A 64 12.272 6.529 -33.527 1.00 0.00 N ATOM 1033 CA ASP A 64 11.449 6.183 -34.670 1.00 0.00 C ATOM 1034 C ASP A 64 12.300 5.553 -35.760 1.00 0.00 C ATOM 1035 O ASP A 64 13.497 5.828 -35.862 1.00 0.00 O ATOM 1036 CB ASP A 64 10.733 7.424 -35.219 1.00 0.00 C ATOM 1037 CG ASP A 64 11.691 8.446 -35.812 1.00 0.00 C ATOM 1038 OD1 ASP A 64 12.227 9.278 -35.047 1.00 0.00 O ATOM 1039 OD2 ASP A 64 11.908 8.421 -37.045 1.00 0.00 O ATOM 0 H ASP A 64 12.976 7.242 -33.717 1.00 0.00 H new ATOM 0 HA ASP A 64 10.698 5.464 -34.344 1.00 0.00 H new ATOM 0 HB2 ASP A 64 10.019 7.117 -35.983 1.00 0.00 H new ATOM 0 HB3 ASP A 64 10.161 7.892 -34.418 1.00 0.00 H new ATOM 1044 N LYS A 65 11.686 4.689 -36.547 1.00 0.00 N ATOM 1045 CA LYS A 65 12.338 4.089 -37.699 1.00 0.00 C ATOM 1046 C LYS A 65 11.275 3.628 -38.668 1.00 0.00 C ATOM 1047 O LYS A 65 10.252 3.097 -38.237 1.00 0.00 O ATOM 1048 CB LYS A 65 13.218 2.900 -37.285 1.00 0.00 C ATOM 1049 CG LYS A 65 12.454 1.592 -37.090 1.00 0.00 C ATOM 1050 CD LYS A 65 13.338 0.497 -36.513 1.00 0.00 C ATOM 1051 CE LYS A 65 12.535 -0.753 -36.197 1.00 0.00 C ATOM 1052 NZ LYS A 65 13.410 -1.895 -35.832 1.00 0.00 N ATOM 0 H LYS A 65 10.723 4.383 -36.407 1.00 0.00 H new ATOM 0 HA LYS A 65 12.984 4.832 -38.168 1.00 0.00 H new ATOM 0 HB2 LYS A 65 13.986 2.749 -38.044 1.00 0.00 H new ATOM 0 HB3 LYS A 65 13.732 3.149 -36.357 1.00 0.00 H new ATOM 0 HG2 LYS A 65 11.607 1.762 -36.425 1.00 0.00 H new ATOM 0 HG3 LYS A 65 12.047 1.263 -38.046 1.00 0.00 H new ATOM 0 HD2 LYS A 65 14.129 0.254 -37.223 1.00 0.00 H new ATOM 0 HD3 LYS A 65 13.823 0.859 -35.606 1.00 0.00 H new ATOM 0 HE2 LYS A 65 11.848 -0.545 -35.377 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.928 -1.023 -37.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 12.824 -2.729 -35.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 14.049 -2.110 -36.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 13.971 -1.648 -34.992 1.00 0.00 H new ATOM 1066 N LEU A 66 11.508 3.830 -39.958 1.00 0.00 N ATOM 1067 CA LEU A 66 10.557 3.430 -40.985 1.00 0.00 C ATOM 1068 C LEU A 66 9.192 4.085 -40.767 1.00 0.00 C ATOM 1069 O LEU A 66 8.926 5.171 -41.284 1.00 0.00 O ATOM 1070 CB LEU A 66 10.426 1.902 -41.012 1.00 0.00 C ATOM 1071 CG LEU A 66 11.518 1.155 -41.784 1.00 0.00 C ATOM 1072 CD1 LEU A 66 11.600 1.655 -43.218 1.00 0.00 C ATOM 1073 CD2 LEU A 66 12.869 1.290 -41.097 1.00 0.00 C ATOM 0 H LEU A 66 12.354 4.272 -40.319 1.00 0.00 H new ATOM 0 HA LEU A 66 10.934 3.771 -41.949 1.00 0.00 H new ATOM 0 HB2 LEU A 66 10.420 1.538 -39.985 1.00 0.00 H new ATOM 0 HB3 LEU A 66 9.460 1.646 -41.447 1.00 0.00 H new ATOM 0 HG LEU A 66 11.251 0.098 -41.799 1.00 0.00 H new ATOM 0 HD11 LEU A 66 12.382 1.111 -43.749 1.00 0.00 H new ATOM 0 HD12 LEU A 66 10.644 1.493 -43.715 1.00 0.00 H new ATOM 0 HD13 LEU A 66 11.834 2.720 -43.219 1.00 0.00 H new ATOM 0 HD21 LEU A 66 13.623 0.749 -41.668 1.00 0.00 H new ATOM 0 HD22 LEU A 66 13.144 2.343 -41.039 1.00 0.00 H new ATOM 0 HD23 LEU A 66 12.809 0.874 -40.091 1.00 0.00 H new ATOM 1085 N ASN A 67 8.347 3.427 -39.986 1.00 0.00 N ATOM 1086 CA ASN A 67 7.034 3.955 -39.638 1.00 0.00 C ATOM 1087 C ASN A 67 6.716 3.640 -38.173 1.00 0.00 C ATOM 1088 O ASN A 67 5.672 4.021 -37.645 1.00 0.00 O ATOM 1089 CB ASN A 67 5.975 3.362 -40.583 1.00 0.00 C ATOM 1090 CG ASN A 67 4.563 3.841 -40.292 1.00 0.00 C ATOM 1091 OD1 ASN A 67 3.801 3.174 -39.590 1.00 0.00 O ATOM 1092 ND2 ASN A 67 4.203 5.001 -40.825 1.00 0.00 N ATOM 0 H ASN A 67 8.551 2.515 -39.577 1.00 0.00 H new ATOM 0 HA ASN A 67 7.028 5.039 -39.755 1.00 0.00 H new ATOM 0 HB2 ASN A 67 6.232 3.619 -41.610 1.00 0.00 H new ATOM 0 HB3 ASN A 67 6.003 2.275 -40.510 1.00 0.00 H new ATOM 0 HD21 ASN A 67 3.267 5.370 -40.659 1.00 0.00 H new ATOM 0 HD22 ASN A 67 4.863 5.524 -41.401 1.00 0.00 H new ATOM 1099 N GLU A 68 7.658 2.987 -37.498 1.00 0.00 N ATOM 1100 CA GLU A 68 7.440 2.519 -36.138 1.00 0.00 C ATOM 1101 C GLU A 68 8.053 3.480 -35.128 1.00 0.00 C ATOM 1102 O GLU A 68 9.084 4.104 -35.390 1.00 0.00 O ATOM 1103 CB GLU A 68 8.038 1.120 -35.930 1.00 0.00 C ATOM 1104 CG GLU A 68 7.403 0.030 -36.781 1.00 0.00 C ATOM 1105 CD GLU A 68 7.953 -0.022 -38.193 1.00 0.00 C ATOM 1106 OE1 GLU A 68 8.945 -0.748 -38.422 1.00 0.00 O ATOM 1107 OE2 GLU A 68 7.383 0.635 -39.089 1.00 0.00 O ATOM 0 H GLU A 68 8.581 2.771 -37.874 1.00 0.00 H new ATOM 0 HA GLU A 68 6.362 2.471 -35.982 1.00 0.00 H new ATOM 0 HB2 GLU A 68 9.105 1.159 -36.148 1.00 0.00 H new ATOM 0 HB3 GLU A 68 7.937 0.848 -34.879 1.00 0.00 H new ATOM 0 HG2 GLU A 68 7.561 -0.936 -36.301 1.00 0.00 H new ATOM 0 HG3 GLU A 68 6.326 0.192 -36.823 1.00 0.00 H new ATOM 1114 N TYR A 69 7.404 3.596 -33.978 1.00 0.00 N ATOM 1115 CA TYR A 69 7.906 4.406 -32.877 1.00 0.00 C ATOM 1116 C TYR A 69 7.947 3.546 -31.620 1.00 0.00 C ATOM 1117 O TYR A 69 6.903 3.103 -31.144 1.00 0.00 O ATOM 1118 CB TYR A 69 6.993 5.612 -32.625 1.00 0.00 C ATOM 1119 CG TYR A 69 6.430 6.247 -33.878 1.00 0.00 C ATOM 1120 CD1 TYR A 69 7.181 7.141 -34.631 1.00 0.00 C ATOM 1121 CD2 TYR A 69 5.137 5.958 -34.301 1.00 0.00 C ATOM 1122 CE1 TYR A 69 6.659 7.727 -35.770 1.00 0.00 C ATOM 1123 CE2 TYR A 69 4.611 6.538 -35.438 1.00 0.00 C ATOM 1124 CZ TYR A 69 5.374 7.420 -36.168 1.00 0.00 C ATOM 1125 OH TYR A 69 4.848 8.002 -37.300 1.00 0.00 O ATOM 0 H TYR A 69 6.517 3.132 -33.782 1.00 0.00 H new ATOM 0 HA TYR A 69 8.901 4.770 -33.131 1.00 0.00 H new ATOM 0 HB2 TYR A 69 6.165 5.298 -31.989 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.553 6.366 -32.071 1.00 0.00 H new ATOM 0 HD1 TYR A 69 8.188 7.382 -34.322 1.00 0.00 H new ATOM 0 HD2 TYR A 69 4.534 5.268 -33.730 1.00 0.00 H new ATOM 0 HE1 TYR A 69 7.254 8.421 -36.345 1.00 0.00 H new ATOM 0 HE2 TYR A 69 3.606 6.301 -35.753 1.00 0.00 H new ATOM 0 HH TYR A 69 3.934 7.678 -37.440 1.00 0.00 H new ATOM 1135 N TYR A 70 9.129 3.286 -31.090 1.00 0.00 N ATOM 1136 CA TYR A 70 9.235 2.432 -29.915 1.00 0.00 C ATOM 1137 C TYR A 70 9.998 3.128 -28.798 1.00 0.00 C ATOM 1138 O TYR A 70 10.832 4.006 -29.044 1.00 0.00 O ATOM 1139 CB TYR A 70 9.873 1.081 -30.269 1.00 0.00 C ATOM 1140 CG TYR A 70 11.296 1.158 -30.769 1.00 0.00 C ATOM 1141 CD1 TYR A 70 11.573 1.421 -32.106 1.00 0.00 C ATOM 1142 CD2 TYR A 70 12.364 0.950 -29.907 1.00 0.00 C ATOM 1143 CE1 TYR A 70 12.872 1.477 -32.566 1.00 0.00 C ATOM 1144 CE2 TYR A 70 13.666 1.001 -30.361 1.00 0.00 C ATOM 1145 CZ TYR A 70 13.914 1.266 -31.689 1.00 0.00 C ATOM 1146 OH TYR A 70 15.211 1.307 -32.142 1.00 0.00 O ATOM 0 H TYR A 70 10.015 3.645 -31.445 1.00 0.00 H new ATOM 0 HA TYR A 70 8.226 2.236 -29.553 1.00 0.00 H new ATOM 0 HB2 TYR A 70 9.848 0.442 -29.386 1.00 0.00 H new ATOM 0 HB3 TYR A 70 9.262 0.596 -31.030 1.00 0.00 H new ATOM 0 HD1 TYR A 70 10.758 1.584 -32.795 1.00 0.00 H new ATOM 0 HD2 TYR A 70 12.173 0.745 -28.864 1.00 0.00 H new ATOM 0 HE1 TYR A 70 13.071 1.685 -33.607 1.00 0.00 H new ATOM 0 HE2 TYR A 70 14.486 0.834 -29.678 1.00 0.00 H new ATOM 0 HH TYR A 70 15.824 1.139 -31.396 1.00 0.00 H new ATOM 1156 N VAL A 71 9.703 2.732 -27.569 1.00 0.00 N ATOM 1157 CA VAL A 71 10.262 3.387 -26.403 1.00 0.00 C ATOM 1158 C VAL A 71 11.401 2.567 -25.815 1.00 0.00 C ATOM 1159 O VAL A 71 11.262 1.366 -25.569 1.00 0.00 O ATOM 1160 CB VAL A 71 9.186 3.617 -25.321 1.00 0.00 C ATOM 1161 CG1 VAL A 71 9.754 4.410 -24.153 1.00 0.00 C ATOM 1162 CG2 VAL A 71 7.977 4.326 -25.914 1.00 0.00 C ATOM 0 H VAL A 71 9.076 1.956 -27.356 1.00 0.00 H new ATOM 0 HA VAL A 71 10.646 4.354 -26.728 1.00 0.00 H new ATOM 0 HB VAL A 71 8.866 2.645 -24.946 1.00 0.00 H new ATOM 0 HG11 VAL A 71 8.977 4.560 -23.403 1.00 0.00 H new ATOM 0 HG12 VAL A 71 10.585 3.861 -23.710 1.00 0.00 H new ATOM 0 HG13 VAL A 71 10.107 5.378 -24.508 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.228 4.480 -25.137 1.00 0.00 H new ATOM 0 HG22 VAL A 71 8.283 5.290 -26.319 1.00 0.00 H new ATOM 0 HG23 VAL A 71 7.552 3.716 -26.711 1.00 0.00 H new ATOM 1172 N LYS A 72 12.530 3.219 -25.609 1.00 0.00 N ATOM 1173 CA LYS A 72 13.678 2.583 -24.993 1.00 0.00 C ATOM 1174 C LYS A 72 13.670 2.854 -23.498 1.00 0.00 C ATOM 1175 O LYS A 72 13.805 4.002 -23.073 1.00 0.00 O ATOM 1176 CB LYS A 72 14.968 3.117 -25.593 1.00 0.00 C ATOM 1177 CG LYS A 72 14.980 3.124 -27.111 1.00 0.00 C ATOM 1178 CD LYS A 72 16.357 3.464 -27.630 1.00 0.00 C ATOM 1179 CE LYS A 72 17.291 2.262 -27.557 1.00 0.00 C ATOM 1180 NZ LYS A 72 17.167 1.362 -28.738 1.00 0.00 N ATOM 0 H LYS A 72 12.676 4.196 -25.862 1.00 0.00 H new ATOM 0 HA LYS A 72 13.621 1.510 -25.175 1.00 0.00 H new ATOM 0 HB2 LYS A 72 15.132 4.133 -25.233 1.00 0.00 H new ATOM 0 HB3 LYS A 72 15.802 2.513 -25.235 1.00 0.00 H new ATOM 0 HG2 LYS A 72 14.675 2.148 -27.487 1.00 0.00 H new ATOM 0 HG3 LYS A 72 14.256 3.849 -27.482 1.00 0.00 H new ATOM 0 HD2 LYS A 72 16.284 3.808 -28.662 1.00 0.00 H new ATOM 0 HD3 LYS A 72 16.774 4.286 -27.049 1.00 0.00 H new ATOM 0 HE2 LYS A 72 18.320 2.612 -27.479 1.00 0.00 H new ATOM 0 HE3 LYS A 72 17.077 1.696 -26.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 18.107 1.003 -29.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 16.545 0.563 -28.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 16.763 1.891 -29.537 1.00 0.00 H new ATOM 1194 N VAL A 73 13.488 1.813 -22.708 1.00 0.00 N ATOM 1195 CA VAL A 73 13.509 1.950 -21.265 1.00 0.00 C ATOM 1196 C VAL A 73 14.948 1.895 -20.771 1.00 0.00 C ATOM 1197 O VAL A 73 15.619 0.867 -20.883 1.00 0.00 O ATOM 1198 CB VAL A 73 12.683 0.840 -20.585 1.00 0.00 C ATOM 1199 CG1 VAL A 73 12.676 1.012 -19.075 1.00 0.00 C ATOM 1200 CG2 VAL A 73 11.263 0.814 -21.132 1.00 0.00 C ATOM 0 H VAL A 73 13.324 0.863 -23.042 1.00 0.00 H new ATOM 0 HA VAL A 73 13.063 2.910 -21.006 1.00 0.00 H new ATOM 0 HB VAL A 73 13.154 -0.117 -20.811 1.00 0.00 H new ATOM 0 HG11 VAL A 73 12.086 0.216 -18.621 1.00 0.00 H new ATOM 0 HG12 VAL A 73 13.698 0.966 -18.699 1.00 0.00 H new ATOM 0 HG13 VAL A 73 12.239 1.978 -18.821 1.00 0.00 H new ATOM 0 HG21 VAL A 73 10.697 0.024 -20.639 1.00 0.00 H new ATOM 0 HG22 VAL A 73 10.783 1.775 -20.945 1.00 0.00 H new ATOM 0 HG23 VAL A 73 11.290 0.625 -22.205 1.00 0.00 H new ATOM 1210 N ILE A 74 15.411 3.004 -20.223 1.00 0.00 N ATOM 1211 CA ILE A 74 16.797 3.135 -19.804 1.00 0.00 C ATOM 1212 C ILE A 74 16.874 3.367 -18.304 1.00 0.00 C ATOM 1213 O ILE A 74 16.108 4.150 -17.756 1.00 0.00 O ATOM 1214 CB ILE A 74 17.484 4.313 -20.540 1.00 0.00 C ATOM 1215 CG1 ILE A 74 17.405 4.108 -22.056 1.00 0.00 C ATOM 1216 CG2 ILE A 74 18.935 4.464 -20.093 1.00 0.00 C ATOM 1217 CD1 ILE A 74 17.953 5.267 -22.863 1.00 0.00 C ATOM 0 H ILE A 74 14.843 3.834 -20.056 1.00 0.00 H new ATOM 0 HA ILE A 74 17.314 2.209 -20.056 1.00 0.00 H new ATOM 0 HB ILE A 74 16.957 5.232 -20.284 1.00 0.00 H new ATOM 0 HG12 ILE A 74 17.954 3.204 -22.319 1.00 0.00 H new ATOM 0 HG13 ILE A 74 16.365 3.943 -22.336 1.00 0.00 H new ATOM 0 HG21 ILE A 74 19.395 5.297 -20.624 1.00 0.00 H new ATOM 0 HG22 ILE A 74 18.967 4.655 -19.020 1.00 0.00 H new ATOM 0 HG23 ILE A 74 19.481 3.547 -20.315 1.00 0.00 H new ATOM 0 HD11 ILE A 74 17.861 5.045 -23.926 1.00 0.00 H new ATOM 0 HD12 ILE A 74 17.390 6.171 -22.631 1.00 0.00 H new ATOM 0 HD13 ILE A 74 19.003 5.420 -22.613 1.00 0.00 H new ATOM 1229 N GLU A 75 17.780 2.675 -17.638 1.00 0.00 N ATOM 1230 CA GLU A 75 17.995 2.900 -16.223 1.00 0.00 C ATOM 1231 C GLU A 75 19.010 4.022 -16.041 1.00 0.00 C ATOM 1232 O GLU A 75 20.054 4.022 -16.689 1.00 0.00 O ATOM 1233 CB GLU A 75 18.478 1.619 -15.540 1.00 0.00 C ATOM 1234 CG GLU A 75 18.703 1.772 -14.046 1.00 0.00 C ATOM 1235 CD GLU A 75 19.248 0.512 -13.404 1.00 0.00 C ATOM 1236 OE1 GLU A 75 20.471 0.287 -13.491 1.00 0.00 O ATOM 1237 OE2 GLU A 75 18.456 -0.253 -12.808 1.00 0.00 O ATOM 0 H GLU A 75 18.375 1.957 -18.052 1.00 0.00 H new ATOM 0 HA GLU A 75 17.053 3.190 -15.758 1.00 0.00 H new ATOM 0 HB2 GLU A 75 17.746 0.829 -15.709 1.00 0.00 H new ATOM 0 HB3 GLU A 75 19.408 1.297 -16.008 1.00 0.00 H new ATOM 0 HG2 GLU A 75 19.397 2.594 -13.870 1.00 0.00 H new ATOM 0 HG3 GLU A 75 17.762 2.041 -13.567 1.00 0.00 H new ATOM 1244 N ASP A 76 18.701 4.978 -15.173 1.00 0.00 N ATOM 1245 CA ASP A 76 19.579 6.134 -14.960 1.00 0.00 C ATOM 1246 C ASP A 76 20.932 5.695 -14.406 1.00 0.00 C ATOM 1247 O ASP A 76 21.971 6.242 -14.772 1.00 0.00 O ATOM 1248 CB ASP A 76 18.917 7.131 -14.004 1.00 0.00 C ATOM 1249 CG ASP A 76 19.707 8.416 -13.837 1.00 0.00 C ATOM 1250 OD1 ASP A 76 19.494 9.362 -14.628 1.00 0.00 O ATOM 1251 OD2 ASP A 76 20.527 8.500 -12.904 1.00 0.00 O ATOM 0 H ASP A 76 17.854 4.981 -14.605 1.00 0.00 H new ATOM 0 HA ASP A 76 19.744 6.619 -15.922 1.00 0.00 H new ATOM 0 HB2 ASP A 76 17.920 7.371 -14.373 1.00 0.00 H new ATOM 0 HB3 ASP A 76 18.791 6.660 -13.029 1.00 0.00 H new ATOM 1256 N SER A 77 20.908 4.687 -13.543 1.00 0.00 N ATOM 1257 CA SER A 77 22.117 4.192 -12.897 1.00 0.00 C ATOM 1258 C SER A 77 23.086 3.572 -13.911 1.00 0.00 C ATOM 1259 O SER A 77 24.181 4.091 -14.129 1.00 0.00 O ATOM 1260 CB SER A 77 21.744 3.165 -11.830 1.00 0.00 C ATOM 1261 OG SER A 77 20.721 3.662 -10.981 1.00 0.00 O ATOM 0 H SER A 77 20.057 4.193 -13.273 1.00 0.00 H new ATOM 0 HA SER A 77 22.624 5.037 -12.432 1.00 0.00 H new ATOM 0 HB2 SER A 77 21.410 2.244 -12.308 1.00 0.00 H new ATOM 0 HB3 SER A 77 22.624 2.915 -11.237 1.00 0.00 H new ATOM 0 HG SER A 77 20.498 2.986 -10.307 1.00 0.00 H new ATOM 1267 N THR A 78 22.678 2.469 -14.533 1.00 0.00 N ATOM 1268 CA THR A 78 23.528 1.765 -15.490 1.00 0.00 C ATOM 1269 C THR A 78 23.658 2.537 -16.801 1.00 0.00 C ATOM 1270 O THR A 78 24.595 2.318 -17.573 1.00 0.00 O ATOM 1271 CB THR A 78 22.982 0.354 -15.777 1.00 0.00 C ATOM 1272 OG1 THR A 78 21.555 0.404 -15.911 1.00 0.00 O ATOM 1273 CG2 THR A 78 23.364 -0.617 -14.666 1.00 0.00 C ATOM 0 H THR A 78 21.762 2.042 -14.391 1.00 0.00 H new ATOM 0 HA THR A 78 24.516 1.682 -15.037 1.00 0.00 H new ATOM 0 HB THR A 78 23.424 -0.002 -16.708 1.00 0.00 H new ATOM 0 HG1 THR A 78 21.137 0.063 -15.092 1.00 0.00 H new ATOM 0 HG21 THR A 78 22.966 -1.606 -14.894 1.00 0.00 H new ATOM 0 HG22 THR A 78 24.450 -0.672 -14.588 1.00 0.00 H new ATOM 0 HG23 THR A 78 22.950 -0.268 -13.720 1.00 0.00 H new ATOM 1281 N ASN A 79 22.700 3.431 -17.041 1.00 0.00 N ATOM 1282 CA ASN A 79 22.677 4.279 -18.235 1.00 0.00 C ATOM 1283 C ASN A 79 22.607 3.421 -19.497 1.00 0.00 C ATOM 1284 O ASN A 79 23.180 3.760 -20.534 1.00 0.00 O ATOM 1285 CB ASN A 79 23.906 5.197 -18.274 1.00 0.00 C ATOM 1286 CG ASN A 79 23.668 6.461 -19.082 1.00 0.00 C ATOM 1287 OD1 ASN A 79 23.879 6.495 -20.295 1.00 0.00 O ATOM 1288 ND2 ASN A 79 23.243 7.522 -18.411 1.00 0.00 N ATOM 0 H ASN A 79 21.914 3.589 -16.411 1.00 0.00 H new ATOM 0 HA ASN A 79 21.786 4.906 -18.193 1.00 0.00 H new ATOM 0 HB2 ASN A 79 24.184 5.469 -17.256 1.00 0.00 H new ATOM 0 HB3 ASN A 79 24.748 4.652 -18.700 1.00 0.00 H new ATOM 0 HD21 ASN A 79 23.080 8.403 -18.899 1.00 0.00 H new ATOM 0 HD22 ASN A 79 23.079 7.458 -17.406 1.00 0.00 H new ATOM 1295 N GLU A 80 21.901 2.305 -19.398 1.00 0.00 N ATOM 1296 CA GLU A 80 21.709 1.421 -20.538 1.00 0.00 C ATOM 1297 C GLU A 80 20.236 1.076 -20.699 1.00 0.00 C ATOM 1298 O GLU A 80 19.444 1.220 -19.762 1.00 0.00 O ATOM 1299 CB GLU A 80 22.525 0.132 -20.383 1.00 0.00 C ATOM 1300 CG GLU A 80 22.061 -0.764 -19.244 1.00 0.00 C ATOM 1301 CD GLU A 80 22.686 -2.142 -19.306 1.00 0.00 C ATOM 1302 OE1 GLU A 80 23.857 -2.290 -18.897 1.00 0.00 O ATOM 1303 OE2 GLU A 80 22.015 -3.085 -19.782 1.00 0.00 O ATOM 0 H GLU A 80 21.451 1.989 -18.539 1.00 0.00 H new ATOM 0 HA GLU A 80 22.056 1.946 -21.428 1.00 0.00 H new ATOM 0 HB2 GLU A 80 22.477 -0.430 -21.316 1.00 0.00 H new ATOM 0 HB3 GLU A 80 23.571 0.394 -20.222 1.00 0.00 H new ATOM 0 HG2 GLU A 80 22.311 -0.296 -18.292 1.00 0.00 H new ATOM 0 HG3 GLU A 80 20.976 -0.858 -19.277 1.00 0.00 H new ATOM 1310 N VAL A 81 19.876 0.622 -21.886 1.00 0.00 N ATOM 1311 CA VAL A 81 18.515 0.205 -22.163 1.00 0.00 C ATOM 1312 C VAL A 81 18.249 -1.152 -21.518 1.00 0.00 C ATOM 1313 O VAL A 81 18.664 -2.189 -22.037 1.00 0.00 O ATOM 1314 CB VAL A 81 18.246 0.121 -23.682 1.00 0.00 C ATOM 1315 CG1 VAL A 81 16.793 -0.236 -23.957 1.00 0.00 C ATOM 1316 CG2 VAL A 81 18.614 1.431 -24.361 1.00 0.00 C ATOM 0 H VAL A 81 20.513 0.533 -22.678 1.00 0.00 H new ATOM 0 HA VAL A 81 17.843 0.953 -21.742 1.00 0.00 H new ATOM 0 HB VAL A 81 18.872 -0.670 -24.095 1.00 0.00 H new ATOM 0 HG11 VAL A 81 16.629 -0.289 -25.033 1.00 0.00 H new ATOM 0 HG12 VAL A 81 16.564 -1.202 -23.507 1.00 0.00 H new ATOM 0 HG13 VAL A 81 16.143 0.527 -23.528 1.00 0.00 H new ATOM 0 HG21 VAL A 81 18.418 1.354 -25.430 1.00 0.00 H new ATOM 0 HG22 VAL A 81 18.016 2.239 -23.940 1.00 0.00 H new ATOM 0 HG23 VAL A 81 19.672 1.640 -24.200 1.00 0.00 H new ATOM 1326 N ILE A 82 17.570 -1.137 -20.380 1.00 0.00 N ATOM 1327 CA ILE A 82 17.297 -2.359 -19.632 1.00 0.00 C ATOM 1328 C ILE A 82 16.038 -3.045 -20.144 1.00 0.00 C ATOM 1329 O ILE A 82 15.747 -4.188 -19.787 1.00 0.00 O ATOM 1330 CB ILE A 82 17.145 -2.079 -18.121 1.00 0.00 C ATOM 1331 CG1 ILE A 82 16.071 -1.014 -17.877 1.00 0.00 C ATOM 1332 CG2 ILE A 82 18.480 -1.649 -17.527 1.00 0.00 C ATOM 1333 CD1 ILE A 82 15.709 -0.836 -16.416 1.00 0.00 C ATOM 0 H ILE A 82 17.196 -0.290 -19.952 1.00 0.00 H new ATOM 0 HA ILE A 82 18.152 -3.018 -19.782 1.00 0.00 H new ATOM 0 HB ILE A 82 16.829 -2.997 -17.626 1.00 0.00 H new ATOM 0 HG12 ILE A 82 16.420 -0.061 -18.274 1.00 0.00 H new ATOM 0 HG13 ILE A 82 15.173 -1.282 -18.434 1.00 0.00 H new ATOM 0 HG21 ILE A 82 18.358 -1.455 -16.461 1.00 0.00 H new ATOM 0 HG22 ILE A 82 19.214 -2.442 -17.670 1.00 0.00 H new ATOM 0 HG23 ILE A 82 18.824 -0.742 -18.024 1.00 0.00 H new ATOM 0 HD11 ILE A 82 14.943 -0.066 -16.322 1.00 0.00 H new ATOM 0 HD12 ILE A 82 15.328 -1.777 -16.018 1.00 0.00 H new ATOM 0 HD13 ILE A 82 16.595 -0.537 -15.856 1.00 0.00 H new ATOM 1345 N ARG A 83 15.292 -2.340 -20.984 1.00 0.00 N ATOM 1346 CA ARG A 83 14.061 -2.875 -21.543 1.00 0.00 C ATOM 1347 C ARG A 83 13.717 -2.127 -22.828 1.00 0.00 C ATOM 1348 O ARG A 83 13.763 -0.903 -22.864 1.00 0.00 O ATOM 1349 CB ARG A 83 12.924 -2.720 -20.529 1.00 0.00 C ATOM 1350 CG ARG A 83 11.843 -3.779 -20.642 1.00 0.00 C ATOM 1351 CD ARG A 83 12.319 -5.118 -20.098 1.00 0.00 C ATOM 1352 NE ARG A 83 11.251 -6.114 -20.097 1.00 0.00 N ATOM 1353 CZ ARG A 83 11.149 -7.099 -19.200 1.00 0.00 C ATOM 1354 NH1 ARG A 83 12.087 -7.257 -18.274 1.00 0.00 N ATOM 1355 NH2 ARG A 83 10.110 -7.927 -19.238 1.00 0.00 N ATOM 0 H ARG A 83 15.520 -1.395 -21.293 1.00 0.00 H new ATOM 0 HA ARG A 83 14.195 -3.933 -21.769 1.00 0.00 H new ATOM 0 HB2 ARG A 83 13.343 -2.750 -19.523 1.00 0.00 H new ATOM 0 HB3 ARG A 83 12.470 -1.737 -20.656 1.00 0.00 H new ATOM 0 HG2 ARG A 83 10.957 -3.457 -20.095 1.00 0.00 H new ATOM 0 HG3 ARG A 83 11.550 -3.892 -21.686 1.00 0.00 H new ATOM 0 HD2 ARG A 83 13.152 -5.479 -20.700 1.00 0.00 H new ATOM 0 HD3 ARG A 83 12.693 -4.986 -19.083 1.00 0.00 H new ATOM 0 HE ARG A 83 10.540 -6.054 -20.825 1.00 0.00 H new ATOM 0 HH11 ARG A 83 12.888 -6.626 -18.246 1.00 0.00 H new ATOM 0 HH12 ARG A 83 12.007 -8.010 -17.590 1.00 0.00 H new ATOM 0 HH21 ARG A 83 9.391 -7.810 -19.952 1.00 0.00 H new ATOM 0 HH22 ARG A 83 10.032 -8.679 -18.553 1.00 0.00 H new ATOM 1369 N GLU A 84 13.400 -2.849 -23.890 1.00 0.00 N ATOM 1370 CA GLU A 84 13.022 -2.212 -25.136 1.00 0.00 C ATOM 1371 C GLU A 84 11.647 -2.694 -25.569 1.00 0.00 C ATOM 1372 O GLU A 84 11.452 -3.875 -25.855 1.00 0.00 O ATOM 1373 CB GLU A 84 14.064 -2.494 -26.215 1.00 0.00 C ATOM 1374 CG GLU A 84 13.878 -1.644 -27.452 1.00 0.00 C ATOM 1375 CD GLU A 84 15.049 -1.728 -28.404 1.00 0.00 C ATOM 1376 OE1 GLU A 84 16.080 -1.073 -28.142 1.00 0.00 O ATOM 1377 OE2 GLU A 84 14.943 -2.442 -29.425 1.00 0.00 O ATOM 0 H GLU A 84 13.397 -3.869 -23.913 1.00 0.00 H new ATOM 0 HA GLU A 84 12.977 -1.133 -24.984 1.00 0.00 H new ATOM 0 HB2 GLU A 84 15.059 -2.318 -25.806 1.00 0.00 H new ATOM 0 HB3 GLU A 84 14.015 -3.547 -26.493 1.00 0.00 H new ATOM 0 HG2 GLU A 84 12.972 -1.958 -27.970 1.00 0.00 H new ATOM 0 HG3 GLU A 84 13.731 -0.606 -27.155 1.00 0.00 H new ATOM 1384 N ILE A 85 10.694 -1.776 -25.608 1.00 0.00 N ATOM 1385 CA ILE A 85 9.304 -2.132 -25.841 1.00 0.00 C ATOM 1386 C ILE A 85 8.793 -1.549 -27.157 1.00 0.00 C ATOM 1387 O ILE A 85 8.797 -0.332 -27.352 1.00 0.00 O ATOM 1388 CB ILE A 85 8.415 -1.649 -24.676 1.00 0.00 C ATOM 1389 CG1 ILE A 85 8.959 -2.187 -23.352 1.00 0.00 C ATOM 1390 CG2 ILE A 85 6.974 -2.092 -24.885 1.00 0.00 C ATOM 1391 CD1 ILE A 85 8.227 -1.671 -22.136 1.00 0.00 C ATOM 0 H ILE A 85 10.859 -0.777 -25.481 1.00 0.00 H new ATOM 0 HA ILE A 85 9.251 -3.219 -25.903 1.00 0.00 H new ATOM 0 HB ILE A 85 8.432 -0.560 -24.646 1.00 0.00 H new ATOM 0 HG12 ILE A 85 8.903 -3.276 -23.363 1.00 0.00 H new ATOM 0 HG13 ILE A 85 10.013 -1.922 -23.269 1.00 0.00 H new ATOM 0 HG21 ILE A 85 6.362 -1.742 -24.054 1.00 0.00 H new ATOM 0 HG22 ILE A 85 6.595 -1.671 -25.817 1.00 0.00 H new ATOM 0 HG23 ILE A 85 6.931 -3.180 -24.935 1.00 0.00 H new ATOM 0 HD11 ILE A 85 8.671 -2.097 -21.236 1.00 0.00 H new ATOM 0 HD12 ILE A 85 8.304 -0.584 -22.099 1.00 0.00 H new ATOM 0 HD13 ILE A 85 7.177 -1.958 -22.194 1.00 0.00 H new ATOM 1403 N PRO A 86 8.353 -2.420 -28.082 1.00 0.00 N ATOM 1404 CA PRO A 86 7.770 -1.990 -29.353 1.00 0.00 C ATOM 1405 C PRO A 86 6.381 -1.379 -29.156 1.00 0.00 C ATOM 1406 O PRO A 86 5.700 -1.683 -28.173 1.00 0.00 O ATOM 1407 CB PRO A 86 7.685 -3.289 -30.159 1.00 0.00 C ATOM 1408 CG PRO A 86 7.581 -4.363 -29.134 1.00 0.00 C ATOM 1409 CD PRO A 86 8.390 -3.891 -27.958 1.00 0.00 C ATOM 0 HA PRO A 86 8.359 -1.215 -29.844 1.00 0.00 H new ATOM 0 HB2 PRO A 86 6.819 -3.288 -30.821 1.00 0.00 H new ATOM 0 HB3 PRO A 86 8.566 -3.424 -30.786 1.00 0.00 H new ATOM 0 HG2 PRO A 86 6.542 -4.533 -28.850 1.00 0.00 H new ATOM 0 HG3 PRO A 86 7.965 -5.308 -29.518 1.00 0.00 H new ATOM 0 HD2 PRO A 86 7.959 -4.225 -27.014 1.00 0.00 H new ATOM 0 HD3 PRO A 86 9.411 -4.271 -27.995 1.00 0.00 H new ATOM 1417 N PRO A 87 5.933 -0.526 -30.099 1.00 0.00 N ATOM 1418 CA PRO A 87 4.669 0.222 -29.975 1.00 0.00 C ATOM 1419 C PRO A 87 3.458 -0.673 -29.714 1.00 0.00 C ATOM 1420 O PRO A 87 2.525 -0.281 -29.014 1.00 0.00 O ATOM 1421 CB PRO A 87 4.522 0.926 -31.334 1.00 0.00 C ATOM 1422 CG PRO A 87 5.501 0.253 -32.240 1.00 0.00 C ATOM 1423 CD PRO A 87 6.619 -0.219 -31.361 1.00 0.00 C ATOM 0 HA PRO A 87 4.702 0.901 -29.123 1.00 0.00 H new ATOM 0 HB2 PRO A 87 3.505 0.833 -31.716 1.00 0.00 H new ATOM 0 HB3 PRO A 87 4.734 1.992 -31.249 1.00 0.00 H new ATOM 0 HG2 PRO A 87 5.037 -0.583 -32.764 1.00 0.00 H new ATOM 0 HG3 PRO A 87 5.867 0.943 -33.001 1.00 0.00 H new ATOM 0 HD2 PRO A 87 7.116 -1.096 -31.775 1.00 0.00 H new ATOM 0 HD3 PRO A 87 7.382 0.548 -31.230 1.00 0.00 H new ATOM 1431 N LYS A 88 3.489 -1.881 -30.261 1.00 0.00 N ATOM 1432 CA LYS A 88 2.362 -2.800 -30.148 1.00 0.00 C ATOM 1433 C LYS A 88 2.285 -3.435 -28.757 1.00 0.00 C ATOM 1434 O LYS A 88 1.296 -4.079 -28.422 1.00 0.00 O ATOM 1435 CB LYS A 88 2.446 -3.882 -31.229 1.00 0.00 C ATOM 1436 CG LYS A 88 3.701 -4.735 -31.161 1.00 0.00 C ATOM 1437 CD LYS A 88 3.786 -5.691 -32.343 1.00 0.00 C ATOM 1438 CE LYS A 88 2.576 -6.615 -32.412 1.00 0.00 C ATOM 1439 NZ LYS A 88 2.629 -7.513 -33.597 1.00 0.00 N ATOM 0 H LYS A 88 4.282 -2.248 -30.787 1.00 0.00 H new ATOM 0 HA LYS A 88 1.449 -2.223 -30.295 1.00 0.00 H new ATOM 0 HB2 LYS A 88 1.574 -4.531 -31.146 1.00 0.00 H new ATOM 0 HB3 LYS A 88 2.397 -3.406 -32.208 1.00 0.00 H new ATOM 0 HG2 LYS A 88 4.580 -4.091 -31.148 1.00 0.00 H new ATOM 0 HG3 LYS A 88 3.707 -5.303 -30.230 1.00 0.00 H new ATOM 0 HD2 LYS A 88 3.860 -5.119 -33.268 1.00 0.00 H new ATOM 0 HD3 LYS A 88 4.695 -6.288 -32.263 1.00 0.00 H new ATOM 0 HE2 LYS A 88 2.526 -7.215 -31.504 1.00 0.00 H new ATOM 0 HE3 LYS A 88 1.665 -6.018 -32.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 1.788 -8.125 -33.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 2.651 -6.941 -34.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 3.485 -8.102 -33.548 1.00 0.00 H new ATOM 1453 N ARG A 89 3.329 -3.255 -27.949 1.00 0.00 N ATOM 1454 CA ARG A 89 3.320 -3.748 -26.573 1.00 0.00 C ATOM 1455 C ARG A 89 3.464 -2.604 -25.578 1.00 0.00 C ATOM 1456 O ARG A 89 3.532 -2.825 -24.371 1.00 0.00 O ATOM 1457 CB ARG A 89 4.431 -4.771 -26.337 1.00 0.00 C ATOM 1458 CG ARG A 89 4.102 -6.163 -26.849 1.00 0.00 C ATOM 1459 CD ARG A 89 5.121 -7.177 -26.360 1.00 0.00 C ATOM 1460 NE ARG A 89 4.806 -8.539 -26.795 1.00 0.00 N ATOM 1461 CZ ARG A 89 5.700 -9.527 -26.831 1.00 0.00 C ATOM 1462 NH1 ARG A 89 6.965 -9.292 -26.507 1.00 0.00 N ATOM 1463 NH2 ARG A 89 5.327 -10.747 -27.193 1.00 0.00 N ATOM 0 H ARG A 89 4.187 -2.775 -28.221 1.00 0.00 H new ATOM 0 HA ARG A 89 2.358 -4.236 -26.418 1.00 0.00 H new ATOM 0 HB2 ARG A 89 5.343 -4.422 -26.822 1.00 0.00 H new ATOM 0 HB3 ARG A 89 4.640 -4.827 -25.269 1.00 0.00 H new ATOM 0 HG2 ARG A 89 3.106 -6.452 -26.513 1.00 0.00 H new ATOM 0 HG3 ARG A 89 4.082 -6.158 -27.939 1.00 0.00 H new ATOM 0 HD2 ARG A 89 6.109 -6.901 -26.727 1.00 0.00 H new ATOM 0 HD3 ARG A 89 5.165 -7.147 -25.271 1.00 0.00 H new ATOM 0 HE ARG A 89 3.850 -8.743 -27.086 1.00 0.00 H new ATOM 0 HH11 ARG A 89 7.255 -8.354 -26.230 1.00 0.00 H new ATOM 0 HH12 ARG A 89 7.648 -10.049 -26.535 1.00 0.00 H new ATOM 0 HH21 ARG A 89 4.355 -10.930 -27.444 1.00 0.00 H new ATOM 0 HH22 ARG A 89 6.012 -11.503 -27.220 1.00 0.00 H new ATOM 1477 N TRP A 90 3.504 -1.384 -26.086 1.00 0.00 N ATOM 1478 CA TRP A 90 3.627 -0.213 -25.235 1.00 0.00 C ATOM 1479 C TRP A 90 2.383 -0.057 -24.369 1.00 0.00 C ATOM 1480 O TRP A 90 2.466 0.286 -23.189 1.00 0.00 O ATOM 1481 CB TRP A 90 3.847 1.033 -26.095 1.00 0.00 C ATOM 1482 CG TRP A 90 3.887 2.305 -25.308 1.00 0.00 C ATOM 1483 CD1 TRP A 90 3.039 3.366 -25.431 1.00 0.00 C ATOM 1484 CD2 TRP A 90 4.816 2.649 -24.273 1.00 0.00 C ATOM 1485 NE1 TRP A 90 3.385 4.350 -24.544 1.00 0.00 N ATOM 1486 CE2 TRP A 90 4.470 3.934 -23.816 1.00 0.00 C ATOM 1487 CE3 TRP A 90 5.903 1.993 -23.685 1.00 0.00 C ATOM 1488 CZ2 TRP A 90 5.177 4.575 -22.802 1.00 0.00 C ATOM 1489 CZ3 TRP A 90 6.602 2.630 -22.679 1.00 0.00 C ATOM 1490 CH2 TRP A 90 6.237 3.910 -22.246 1.00 0.00 C ATOM 0 H TRP A 90 3.453 -1.179 -27.084 1.00 0.00 H new ATOM 0 HA TRP A 90 4.487 -0.339 -24.577 1.00 0.00 H new ATOM 0 HB2 TRP A 90 4.783 0.925 -26.643 1.00 0.00 H new ATOM 0 HB3 TRP A 90 3.050 1.099 -26.835 1.00 0.00 H new ATOM 0 HD1 TRP A 90 2.215 3.422 -26.127 1.00 0.00 H new ATOM 0 HE1 TRP A 90 2.912 5.248 -24.441 1.00 0.00 H new ATOM 0 HE3 TRP A 90 6.190 1.005 -24.013 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 4.899 5.563 -22.466 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 7.443 2.133 -22.219 1.00 0.00 H new ATOM 0 HH2 TRP A 90 6.803 4.383 -21.457 1.00 0.00 H new ATOM 1501 N LEU A 91 1.228 -0.332 -24.960 1.00 0.00 N ATOM 1502 CA LEU A 91 -0.034 -0.262 -24.236 1.00 0.00 C ATOM 1503 C LEU A 91 -0.161 -1.444 -23.278 1.00 0.00 C ATOM 1504 O LEU A 91 -0.848 -1.360 -22.261 1.00 0.00 O ATOM 1505 CB LEU A 91 -1.225 -0.216 -25.205 1.00 0.00 C ATOM 1506 CG LEU A 91 -1.340 1.062 -26.048 1.00 0.00 C ATOM 1507 CD1 LEU A 91 -0.306 1.085 -27.164 1.00 0.00 C ATOM 1508 CD2 LEU A 91 -2.741 1.201 -26.618 1.00 0.00 C ATOM 0 H LEU A 91 1.139 -0.606 -25.939 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.043 0.660 -23.654 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.157 -1.070 -25.879 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.144 -0.336 -24.631 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.144 1.911 -25.393 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -0.415 2.003 -27.742 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.695 1.043 -26.734 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.456 0.225 -27.817 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -2.803 2.113 -27.212 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.964 0.341 -27.249 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -3.462 1.250 -25.802 1.00 0.00 H new ATOM 1520 N ASP A 92 0.516 -2.535 -23.613 1.00 0.00 N ATOM 1521 CA ASP A 92 0.584 -3.711 -22.745 1.00 0.00 C ATOM 1522 C ASP A 92 1.323 -3.350 -21.460 1.00 0.00 C ATOM 1523 O ASP A 92 0.832 -3.569 -20.351 1.00 0.00 O ATOM 1524 CB ASP A 92 1.306 -4.846 -23.480 1.00 0.00 C ATOM 1525 CG ASP A 92 1.355 -6.137 -22.693 1.00 0.00 C ATOM 1526 OD1 ASP A 92 2.313 -6.331 -21.922 1.00 0.00 O ATOM 1527 OD2 ASP A 92 0.440 -6.968 -22.867 1.00 0.00 O ATOM 0 H ASP A 92 1.032 -2.633 -24.488 1.00 0.00 H new ATOM 0 HA ASP A 92 -0.422 -4.043 -22.490 1.00 0.00 H new ATOM 0 HB2 ASP A 92 0.806 -5.028 -24.431 1.00 0.00 H new ATOM 0 HB3 ASP A 92 2.324 -4.530 -23.710 1.00 0.00 H new ATOM 1532 N PHE A 93 2.493 -2.749 -21.634 1.00 0.00 N ATOM 1533 CA PHE A 93 3.292 -2.249 -20.524 1.00 0.00 C ATOM 1534 C PHE A 93 2.520 -1.191 -19.736 1.00 0.00 C ATOM 1535 O PHE A 93 2.547 -1.173 -18.502 1.00 0.00 O ATOM 1536 CB PHE A 93 4.599 -1.665 -21.067 1.00 0.00 C ATOM 1537 CG PHE A 93 5.461 -0.984 -20.037 1.00 0.00 C ATOM 1538 CD1 PHE A 93 6.128 -1.716 -19.066 1.00 0.00 C ATOM 1539 CD2 PHE A 93 5.616 0.394 -20.054 1.00 0.00 C ATOM 1540 CE1 PHE A 93 6.930 -1.084 -18.131 1.00 0.00 C ATOM 1541 CE2 PHE A 93 6.414 1.030 -19.121 1.00 0.00 C ATOM 1542 CZ PHE A 93 7.072 0.289 -18.160 1.00 0.00 C ATOM 0 H PHE A 93 2.915 -2.595 -22.550 1.00 0.00 H new ATOM 0 HA PHE A 93 3.518 -3.072 -19.846 1.00 0.00 H new ATOM 0 HB2 PHE A 93 5.175 -2.467 -21.530 1.00 0.00 H new ATOM 0 HB3 PHE A 93 4.362 -0.948 -21.853 1.00 0.00 H new ATOM 0 HD1 PHE A 93 6.021 -2.790 -19.039 1.00 0.00 H new ATOM 0 HD2 PHE A 93 5.107 0.978 -20.806 1.00 0.00 H new ATOM 0 HE1 PHE A 93 7.444 -1.665 -17.379 1.00 0.00 H new ATOM 0 HE2 PHE A 93 6.522 2.104 -19.144 1.00 0.00 H new ATOM 0 HZ PHE A 93 7.698 0.783 -17.431 1.00 0.00 H new ATOM 1552 N TYR A 94 1.821 -0.317 -20.459 1.00 0.00 N ATOM 1553 CA TYR A 94 1.036 0.749 -19.842 1.00 0.00 C ATOM 1554 C TYR A 94 -0.036 0.173 -18.915 1.00 0.00 C ATOM 1555 O TYR A 94 -0.340 0.751 -17.869 1.00 0.00 O ATOM 1556 CB TYR A 94 0.386 1.624 -20.920 1.00 0.00 C ATOM 1557 CG TYR A 94 -0.428 2.773 -20.367 1.00 0.00 C ATOM 1558 CD1 TYR A 94 0.189 3.821 -19.699 1.00 0.00 C ATOM 1559 CD2 TYR A 94 -1.810 2.812 -20.515 1.00 0.00 C ATOM 1560 CE1 TYR A 94 -0.543 4.873 -19.192 1.00 0.00 C ATOM 1561 CE2 TYR A 94 -2.551 3.863 -20.010 1.00 0.00 C ATOM 1562 CZ TYR A 94 -1.913 4.891 -19.349 1.00 0.00 C ATOM 1563 OH TYR A 94 -2.643 5.942 -18.843 1.00 0.00 O ATOM 0 H TYR A 94 1.783 -0.328 -21.478 1.00 0.00 H new ATOM 0 HA TYR A 94 1.710 1.364 -19.246 1.00 0.00 H new ATOM 0 HB2 TYR A 94 1.165 2.023 -21.569 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -0.258 1.001 -21.541 1.00 0.00 H new ATOM 0 HD1 TYR A 94 1.262 3.812 -19.574 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -2.312 2.008 -21.033 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -0.046 5.680 -18.674 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -3.624 3.879 -20.132 1.00 0.00 H new ATOM 0 HH TYR A 94 -2.176 6.784 -19.028 1.00 0.00 H new ATOM 1573 N ALA A 95 -0.600 -0.966 -19.304 1.00 0.00 N ATOM 1574 CA ALA A 95 -1.597 -1.643 -18.485 1.00 0.00 C ATOM 1575 C ALA A 95 -0.992 -2.064 -17.150 1.00 0.00 C ATOM 1576 O ALA A 95 -1.513 -1.723 -16.087 1.00 0.00 O ATOM 1577 CB ALA A 95 -2.168 -2.849 -19.217 1.00 0.00 C ATOM 0 H ALA A 95 -0.383 -1.439 -20.181 1.00 0.00 H new ATOM 0 HA ALA A 95 -2.412 -0.946 -18.291 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.910 -3.339 -18.587 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -2.638 -2.523 -20.145 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -1.365 -3.550 -19.444 1.00 0.00 H new ATOM 1583 N ALA A 96 0.131 -2.773 -17.213 1.00 0.00 N ATOM 1584 CA ALA A 96 0.821 -3.234 -16.012 1.00 0.00 C ATOM 1585 C ALA A 96 1.222 -2.061 -15.119 1.00 0.00 C ATOM 1586 O ALA A 96 1.118 -2.133 -13.894 1.00 0.00 O ATOM 1587 CB ALA A 96 2.043 -4.058 -16.390 1.00 0.00 C ATOM 0 H ALA A 96 0.584 -3.042 -18.086 1.00 0.00 H new ATOM 0 HA ALA A 96 0.133 -3.863 -15.447 1.00 0.00 H new ATOM 0 HB1 ALA A 96 2.548 -4.396 -15.485 1.00 0.00 H new ATOM 0 HB2 ALA A 96 1.732 -4.923 -16.976 1.00 0.00 H new ATOM 0 HB3 ALA A 96 2.726 -3.447 -16.980 1.00 0.00 H new ATOM 1593 N MET A 97 1.660 -0.976 -15.745 1.00 0.00 N ATOM 1594 CA MET A 97 2.071 0.221 -15.023 1.00 0.00 C ATOM 1595 C MET A 97 0.911 0.841 -14.254 1.00 0.00 C ATOM 1596 O MET A 97 1.037 1.140 -13.070 1.00 0.00 O ATOM 1597 CB MET A 97 2.654 1.251 -15.992 1.00 0.00 C ATOM 1598 CG MET A 97 4.032 0.885 -16.514 1.00 0.00 C ATOM 1599 SD MET A 97 5.312 1.019 -15.253 1.00 0.00 S ATOM 1600 CE MET A 97 5.374 2.796 -15.029 1.00 0.00 C ATOM 0 H MET A 97 1.740 -0.901 -16.759 1.00 0.00 H new ATOM 0 HA MET A 97 2.834 -0.077 -14.304 1.00 0.00 H new ATOM 0 HB2 MET A 97 1.975 1.368 -16.836 1.00 0.00 H new ATOM 0 HB3 MET A 97 2.710 2.217 -15.491 1.00 0.00 H new ATOM 0 HG2 MET A 97 4.011 -0.135 -16.898 1.00 0.00 H new ATOM 0 HG3 MET A 97 4.283 1.536 -17.351 1.00 0.00 H new ATOM 0 HE1 MET A 97 5.597 3.024 -13.987 1.00 0.00 H new ATOM 0 HE2 MET A 97 6.152 3.216 -15.666 1.00 0.00 H new ATOM 0 HE3 MET A 97 4.411 3.230 -15.298 1.00 0.00 H new ATOM 1610 N THR A 98 -0.221 1.021 -14.920 1.00 0.00 N ATOM 1611 CA THR A 98 -1.359 1.684 -14.299 1.00 0.00 C ATOM 1612 C THR A 98 -2.005 0.815 -13.230 1.00 0.00 C ATOM 1613 O THR A 98 -2.546 1.331 -12.253 1.00 0.00 O ATOM 1614 CB THR A 98 -2.410 2.102 -15.341 1.00 0.00 C ATOM 1615 OG1 THR A 98 -2.677 1.018 -16.240 1.00 0.00 O ATOM 1616 CG2 THR A 98 -1.935 3.308 -16.128 1.00 0.00 C ATOM 0 H THR A 98 -0.376 0.720 -15.882 1.00 0.00 H new ATOM 0 HA THR A 98 -0.970 2.583 -13.821 1.00 0.00 H new ATOM 0 HB THR A 98 -3.326 2.365 -14.811 1.00 0.00 H new ATOM 0 HG1 THR A 98 -1.971 0.974 -16.918 1.00 0.00 H new ATOM 0 HG21 THR A 98 -2.693 3.587 -16.859 1.00 0.00 H new ATOM 0 HG22 THR A 98 -1.763 4.142 -15.447 1.00 0.00 H new ATOM 0 HG23 THR A 98 -1.006 3.063 -16.644 1.00 0.00 H new ATOM 1624 N GLU A 99 -1.948 -0.496 -13.406 1.00 0.00 N ATOM 1625 CA GLU A 99 -2.452 -1.405 -12.389 1.00 0.00 C ATOM 1626 C GLU A 99 -1.582 -1.333 -11.140 1.00 0.00 C ATOM 1627 O GLU A 99 -2.078 -1.443 -10.020 1.00 0.00 O ATOM 1628 CB GLU A 99 -2.501 -2.844 -12.908 1.00 0.00 C ATOM 1629 CG GLU A 99 -3.453 -3.050 -14.074 1.00 0.00 C ATOM 1630 CD GLU A 99 -3.682 -4.518 -14.380 1.00 0.00 C ATOM 1631 OE1 GLU A 99 -2.899 -5.104 -15.156 1.00 0.00 O ATOM 1632 OE2 GLU A 99 -4.635 -5.105 -13.826 1.00 0.00 O ATOM 0 H GLU A 99 -1.562 -0.950 -14.234 1.00 0.00 H new ATOM 0 HA GLU A 99 -3.467 -1.098 -12.138 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -1.498 -3.143 -13.214 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -2.795 -3.504 -12.092 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -4.408 -2.575 -13.848 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -3.052 -2.555 -14.959 1.00 0.00 H new ATOM 1639 N PHE A 100 -0.283 -1.144 -11.340 1.00 0.00 N ATOM 1640 CA PHE A 100 0.657 -1.088 -10.229 1.00 0.00 C ATOM 1641 C PHE A 100 0.703 0.305 -9.595 1.00 0.00 C ATOM 1642 O PHE A 100 0.423 0.458 -8.410 1.00 0.00 O ATOM 1643 CB PHE A 100 2.057 -1.502 -10.693 1.00 0.00 C ATOM 1644 CG PHE A 100 3.064 -1.582 -9.578 1.00 0.00 C ATOM 1645 CD1 PHE A 100 2.935 -2.534 -8.583 1.00 0.00 C ATOM 1646 CD2 PHE A 100 4.134 -0.702 -9.528 1.00 0.00 C ATOM 1647 CE1 PHE A 100 3.856 -2.612 -7.557 1.00 0.00 C ATOM 1648 CE2 PHE A 100 5.059 -0.774 -8.505 1.00 0.00 C ATOM 1649 CZ PHE A 100 4.921 -1.731 -7.518 1.00 0.00 C ATOM 0 H PHE A 100 0.142 -1.027 -12.260 1.00 0.00 H new ATOM 0 HA PHE A 100 0.309 -1.788 -9.470 1.00 0.00 H new ATOM 0 HB2 PHE A 100 1.995 -2.473 -11.185 1.00 0.00 H new ATOM 0 HB3 PHE A 100 2.409 -0.789 -11.438 1.00 0.00 H new ATOM 0 HD1 PHE A 100 2.105 -3.224 -8.609 1.00 0.00 H new ATOM 0 HD2 PHE A 100 4.245 0.048 -10.297 1.00 0.00 H new ATOM 0 HE1 PHE A 100 3.745 -3.360 -6.786 1.00 0.00 H new ATOM 0 HE2 PHE A 100 5.889 -0.083 -8.477 1.00 0.00 H new ATOM 0 HZ PHE A 100 5.644 -1.791 -6.718 1.00 0.00 H new ATOM 1659 N LEU A 101 1.028 1.329 -10.387 1.00 0.00 N ATOM 1660 CA LEU A 101 1.189 2.679 -9.843 1.00 0.00 C ATOM 1661 C LEU A 101 -0.158 3.335 -9.582 1.00 0.00 C ATOM 1662 O LEU A 101 -0.237 4.361 -8.909 1.00 0.00 O ATOM 1663 CB LEU A 101 2.046 3.574 -10.749 1.00 0.00 C ATOM 1664 CG LEU A 101 3.548 3.287 -10.710 1.00 0.00 C ATOM 1665 CD1 LEU A 101 3.936 2.284 -11.778 1.00 0.00 C ATOM 1666 CD2 LEU A 101 4.336 4.572 -10.872 1.00 0.00 C ATOM 0 H LEU A 101 1.183 1.252 -11.392 1.00 0.00 H new ATOM 0 HA LEU A 101 1.714 2.568 -8.894 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.697 3.465 -11.776 1.00 0.00 H new ATOM 0 HB3 LEU A 101 1.883 4.614 -10.466 1.00 0.00 H new ATOM 0 HG LEU A 101 3.787 2.854 -9.739 1.00 0.00 H new ATOM 0 HD11 LEU A 101 5.009 2.097 -11.729 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.397 1.351 -11.614 1.00 0.00 H new ATOM 0 HD13 LEU A 101 3.681 2.682 -12.760 1.00 0.00 H new ATOM 0 HD21 LEU A 101 5.403 4.351 -10.842 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.088 5.033 -11.828 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.085 5.257 -10.063 1.00 0.00 H new ATOM 1678 N GLY A 102 -1.219 2.731 -10.098 1.00 0.00 N ATOM 1679 CA GLY A 102 -2.558 3.190 -9.783 1.00 0.00 C ATOM 1680 C GLY A 102 -2.909 2.902 -8.338 1.00 0.00 C ATOM 1681 O GLY A 102 -3.902 3.400 -7.816 1.00 0.00 O ATOM 0 H GLY A 102 -1.177 1.931 -10.729 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -2.632 4.261 -9.972 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -3.277 2.700 -10.439 1.00 0.00 H new ATOM 1685 N LEU A 103 -2.073 2.095 -7.699 1.00 0.00 N ATOM 1686 CA LEU A 103 -2.236 1.765 -6.287 1.00 0.00 C ATOM 1687 C LEU A 103 -1.383 2.691 -5.427 1.00 0.00 C ATOM 1688 O LEU A 103 -1.499 2.717 -4.200 1.00 0.00 O ATOM 1689 CB LEU A 103 -1.843 0.309 -6.032 1.00 0.00 C ATOM 1690 CG LEU A 103 -2.652 -0.733 -6.809 1.00 0.00 C ATOM 1691 CD1 LEU A 103 -2.131 -2.132 -6.516 1.00 0.00 C ATOM 1692 CD2 LEU A 103 -4.130 -0.630 -6.465 1.00 0.00 C ATOM 0 H LEU A 103 -1.267 1.652 -8.140 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.284 1.899 -6.019 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -0.789 0.186 -6.281 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -1.945 0.104 -4.966 1.00 0.00 H new ATOM 0 HG LEU A 103 -2.536 -0.536 -7.875 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -2.716 -2.862 -7.075 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -1.085 -2.200 -6.813 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -2.219 -2.337 -5.449 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -4.688 -1.379 -7.028 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -4.268 -0.801 -5.397 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -4.495 0.364 -6.723 1.00 0.00 H new ATOM 1704 N PHE A 104 -0.515 3.441 -6.081 1.00 0.00 N ATOM 1705 CA PHE A 104 0.316 4.421 -5.401 1.00 0.00 C ATOM 1706 C PHE A 104 -0.310 5.795 -5.548 1.00 0.00 C ATOM 1707 O PHE A 104 -0.319 6.597 -4.616 1.00 0.00 O ATOM 1708 CB PHE A 104 1.733 4.425 -5.982 1.00 0.00 C ATOM 1709 CG PHE A 104 2.503 3.159 -5.736 1.00 0.00 C ATOM 1710 CD1 PHE A 104 2.231 2.013 -6.459 1.00 0.00 C ATOM 1711 CD2 PHE A 104 3.507 3.119 -4.783 1.00 0.00 C ATOM 1712 CE1 PHE A 104 2.944 0.851 -6.238 1.00 0.00 C ATOM 1713 CE2 PHE A 104 4.224 1.961 -4.556 1.00 0.00 C ATOM 1714 CZ PHE A 104 3.942 0.826 -5.284 1.00 0.00 C ATOM 0 H PHE A 104 -0.366 3.390 -7.089 1.00 0.00 H new ATOM 0 HA PHE A 104 0.382 4.159 -4.345 1.00 0.00 H new ATOM 0 HB2 PHE A 104 1.672 4.597 -7.057 1.00 0.00 H new ATOM 0 HB3 PHE A 104 2.286 5.262 -5.556 1.00 0.00 H new ATOM 0 HD1 PHE A 104 1.451 2.026 -7.206 1.00 0.00 H new ATOM 0 HD2 PHE A 104 3.732 4.006 -4.209 1.00 0.00 H new ATOM 0 HE1 PHE A 104 2.721 -0.037 -6.811 1.00 0.00 H new ATOM 0 HE2 PHE A 104 5.004 1.945 -3.809 1.00 0.00 H new ATOM 0 HZ PHE A 104 4.500 -0.082 -5.109 1.00 0.00 H new ATOM 1724 N VAL A 105 -0.846 6.046 -6.735 1.00 0.00 N ATOM 1725 CA VAL A 105 -1.513 7.296 -7.034 1.00 0.00 C ATOM 1726 C VAL A 105 -2.947 7.250 -6.541 1.00 0.00 C ATOM 1727 O VAL A 105 -3.486 6.174 -6.278 1.00 0.00 O ATOM 1728 CB VAL A 105 -1.515 7.566 -8.556 1.00 0.00 C ATOM 1729 CG1 VAL A 105 -2.703 6.907 -9.251 1.00 0.00 C ATOM 1730 CG2 VAL A 105 -1.467 9.051 -8.848 1.00 0.00 C ATOM 0 H VAL A 105 -0.828 5.387 -7.513 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.972 8.096 -6.529 1.00 0.00 H new ATOM 0 HB VAL A 105 -0.612 7.113 -8.964 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -2.665 7.122 -10.319 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -2.663 5.829 -9.097 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -3.631 7.299 -8.835 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.469 9.210 -9.926 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -2.338 9.537 -8.408 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -0.559 9.477 -8.421 1.00 0.00 H new ATOM 1740 N ASP A 106 -3.560 8.408 -6.407 1.00 0.00 N ATOM 1741 CA ASP A 106 -4.986 8.465 -6.132 1.00 0.00 C ATOM 1742 C ASP A 106 -5.583 9.719 -6.746 1.00 0.00 C ATOM 1743 O ASP A 106 -6.727 10.085 -6.494 1.00 0.00 O ATOM 1744 CB ASP A 106 -5.244 8.408 -4.622 1.00 0.00 C ATOM 1745 CG ASP A 106 -6.689 8.103 -4.273 1.00 0.00 C ATOM 1746 OD1 ASP A 106 -7.206 7.061 -4.729 1.00 0.00 O ATOM 1747 OD2 ASP A 106 -7.302 8.879 -3.507 1.00 0.00 O ATOM 0 H ASP A 106 -3.101 9.316 -6.483 1.00 0.00 H new ATOM 0 HA ASP A 106 -5.471 7.600 -6.584 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -4.602 7.647 -4.179 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -4.963 9.362 -4.176 1.00 0.00 H new ATOM 1752 N GLU A 107 -4.797 10.336 -7.606 1.00 0.00 N ATOM 1753 CA GLU A 107 -5.158 11.594 -8.220 1.00 0.00 C ATOM 1754 C GLU A 107 -6.180 11.381 -9.334 1.00 0.00 C ATOM 1755 O GLU A 107 -7.247 11.981 -9.324 1.00 0.00 O ATOM 1756 CB GLU A 107 -3.902 12.248 -8.782 1.00 0.00 C ATOM 1757 CG GLU A 107 -4.066 13.722 -9.105 1.00 0.00 C ATOM 1758 CD GLU A 107 -4.142 14.578 -7.858 1.00 0.00 C ATOM 1759 OE1 GLU A 107 -3.098 14.756 -7.193 1.00 0.00 O ATOM 1760 OE2 GLU A 107 -5.240 15.078 -7.539 1.00 0.00 O ATOM 0 H GLU A 107 -3.888 9.976 -7.898 1.00 0.00 H new ATOM 0 HA GLU A 107 -5.609 12.242 -7.468 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -3.091 12.132 -8.063 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -3.603 11.719 -9.687 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -3.229 14.052 -9.720 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -4.971 13.864 -9.696 1.00 0.00 H new ATOM 1767 N LYS A 108 -5.856 10.505 -10.284 1.00 0.00 N ATOM 1768 CA LYS A 108 -6.739 10.255 -11.429 1.00 0.00 C ATOM 1769 C LYS A 108 -8.099 9.734 -10.981 1.00 0.00 C ATOM 1770 O LYS A 108 -9.089 9.847 -11.700 1.00 0.00 O ATOM 1771 CB LYS A 108 -6.122 9.241 -12.401 1.00 0.00 C ATOM 1772 CG LYS A 108 -4.790 9.660 -13.000 1.00 0.00 C ATOM 1773 CD LYS A 108 -4.410 8.741 -14.154 1.00 0.00 C ATOM 1774 CE LYS A 108 -3.026 9.052 -14.712 1.00 0.00 C ATOM 1775 NZ LYS A 108 -2.749 8.285 -15.958 1.00 0.00 N ATOM 0 H LYS A 108 -4.995 9.958 -10.287 1.00 0.00 H new ATOM 0 HA LYS A 108 -6.867 11.212 -11.935 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -5.987 8.294 -11.879 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -6.828 9.060 -13.212 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -4.851 10.690 -13.353 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -4.015 9.631 -12.234 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -4.438 7.706 -13.815 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -5.149 8.836 -14.949 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -2.948 10.120 -14.917 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -2.270 8.815 -13.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -1.723 8.248 -16.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -3.119 7.318 -15.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -3.211 8.753 -16.764 1.00 0.00 H new ATOM 1789 N LYS A 109 -8.143 9.166 -9.787 1.00 0.00 N ATOM 1790 CA LYS A 109 -9.353 8.539 -9.290 1.00 0.00 C ATOM 1791 C LYS A 109 -10.064 9.400 -8.251 1.00 0.00 C ATOM 1792 O LYS A 109 -10.977 8.924 -7.576 1.00 0.00 O ATOM 1793 CB LYS A 109 -9.036 7.159 -8.702 1.00 0.00 C ATOM 1794 CG LYS A 109 -8.871 6.078 -9.756 1.00 0.00 C ATOM 1795 CD LYS A 109 -7.490 6.090 -10.390 1.00 0.00 C ATOM 1796 CE LYS A 109 -7.516 5.492 -11.791 1.00 0.00 C ATOM 1797 NZ LYS A 109 -8.410 4.305 -11.895 1.00 0.00 N ATOM 0 H LYS A 109 -7.352 9.127 -9.144 1.00 0.00 H new ATOM 0 HA LYS A 109 -10.028 8.425 -10.138 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -8.121 7.225 -8.113 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -9.835 6.871 -8.019 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -9.051 5.103 -9.303 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -9.625 6.213 -10.532 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -7.118 7.114 -10.437 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -6.796 5.527 -9.765 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -7.845 6.252 -12.500 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -6.504 5.205 -12.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -8.158 3.753 -12.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -8.299 3.712 -11.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -9.398 4.620 -11.970 1.00 0.00 H new ATOM 1811 N LEU A 110 -9.674 10.667 -8.129 1.00 0.00 N ATOM 1812 CA LEU A 110 -10.309 11.538 -7.147 1.00 0.00 C ATOM 1813 C LEU A 110 -11.674 11.998 -7.649 1.00 0.00 C ATOM 1814 O LEU A 110 -12.635 12.046 -6.883 1.00 0.00 O ATOM 1815 CB LEU A 110 -9.399 12.734 -6.780 1.00 0.00 C ATOM 1816 CG LEU A 110 -9.685 14.090 -7.454 1.00 0.00 C ATOM 1817 CD1 LEU A 110 -8.981 15.201 -6.693 1.00 0.00 C ATOM 1818 CD2 LEU A 110 -9.218 14.114 -8.900 1.00 0.00 C ATOM 0 H LEU A 110 -8.939 11.104 -8.684 1.00 0.00 H new ATOM 0 HA LEU A 110 -10.463 10.967 -6.231 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -9.455 12.878 -5.701 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -8.371 12.456 -7.011 1.00 0.00 H new ATOM 0 HG LEU A 110 -10.765 14.240 -7.439 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -9.186 16.158 -7.173 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -9.345 15.225 -5.666 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -7.906 15.018 -6.693 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -9.439 15.088 -9.338 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -8.144 13.934 -8.938 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -9.736 13.338 -9.463 1.00 0.00 H new ATOM 1830 N GLU A 111 -11.733 12.278 -8.958 1.00 0.00 N ATOM 1831 CA GLU A 111 -12.934 12.756 -9.672 1.00 0.00 C ATOM 1832 C GLU A 111 -13.850 13.646 -8.822 1.00 0.00 C ATOM 1833 O GLU A 111 -15.071 13.623 -8.982 1.00 0.00 O ATOM 1834 CB GLU A 111 -13.725 11.573 -10.260 1.00 0.00 C ATOM 1835 CG GLU A 111 -14.202 10.551 -9.240 1.00 0.00 C ATOM 1836 CD GLU A 111 -15.032 9.451 -9.871 1.00 0.00 C ATOM 1837 OE1 GLU A 111 -14.444 8.492 -10.419 1.00 0.00 O ATOM 1838 OE2 GLU A 111 -16.280 9.538 -9.825 1.00 0.00 O ATOM 0 H GLU A 111 -10.924 12.176 -9.571 1.00 0.00 H new ATOM 0 HA GLU A 111 -12.567 13.388 -10.481 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -14.591 11.964 -10.794 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -13.100 11.066 -10.995 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -13.339 10.111 -8.740 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -14.792 11.054 -8.474 1.00 0.00 H new ATOM 1845 N HIS A 112 -13.265 14.471 -7.964 1.00 0.00 N ATOM 1846 CA HIS A 112 -14.050 15.310 -7.073 1.00 0.00 C ATOM 1847 C HIS A 112 -13.550 16.743 -7.080 1.00 0.00 C ATOM 1848 O HIS A 112 -12.346 16.984 -7.189 1.00 0.00 O ATOM 1849 CB HIS A 112 -14.035 14.757 -5.649 1.00 0.00 C ATOM 1850 CG HIS A 112 -15.192 13.865 -5.352 1.00 0.00 C ATOM 1851 ND1 HIS A 112 -16.234 14.242 -4.539 1.00 0.00 N ATOM 1852 CD2 HIS A 112 -15.470 12.609 -5.758 1.00 0.00 C ATOM 1853 CE1 HIS A 112 -17.103 13.258 -4.458 1.00 0.00 C ATOM 1854 NE2 HIS A 112 -16.665 12.256 -5.189 1.00 0.00 N ATOM 0 H HIS A 112 -12.255 14.576 -7.867 1.00 0.00 H new ATOM 0 HA HIS A 112 -15.076 15.304 -7.440 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -13.109 14.204 -5.491 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -14.035 15.588 -4.944 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -14.864 11.997 -6.409 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -18.020 13.271 -3.888 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -17.139 11.361 -5.312 1.00 0.00 H new ATOM 1862 N HIS A 113 -14.493 17.683 -6.981 1.00 0.00 N ATOM 1863 CA HIS A 113 -14.196 19.117 -6.975 1.00 0.00 C ATOM 1864 C HIS A 113 -13.629 19.542 -8.328 1.00 0.00 C ATOM 1865 O HIS A 113 -13.030 20.606 -8.471 1.00 0.00 O ATOM 1866 CB HIS A 113 -13.231 19.469 -5.829 1.00 0.00 C ATOM 1867 CG HIS A 113 -13.196 20.929 -5.485 1.00 0.00 C ATOM 1868 ND1 HIS A 113 -14.149 21.539 -4.695 1.00 0.00 N ATOM 1869 CD2 HIS A 113 -12.314 21.897 -5.823 1.00 0.00 C ATOM 1870 CE1 HIS A 113 -13.852 22.818 -4.562 1.00 0.00 C ATOM 1871 NE2 HIS A 113 -12.745 23.060 -5.235 1.00 0.00 N ATOM 0 H HIS A 113 -15.487 17.470 -6.902 1.00 0.00 H new ATOM 0 HA HIS A 113 -15.122 19.667 -6.806 1.00 0.00 H new ATOM 0 HB2 HIS A 113 -13.516 18.904 -4.941 1.00 0.00 H new ATOM 0 HB3 HIS A 113 -12.226 19.147 -6.102 1.00 0.00 H new ATOM 0 HD2 HIS A 113 -11.436 21.777 -6.440 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -14.420 23.543 -3.998 1.00 0.00 H new ATOM 0 HE2 HIS A 113 -12.283 23.966 -5.307 1.00 0.00 H new ATOM 1879 N HIS A 114 -13.863 18.704 -9.325 1.00 0.00 N ATOM 1880 CA HIS A 114 -13.363 18.931 -10.667 1.00 0.00 C ATOM 1881 C HIS A 114 -14.340 18.311 -11.657 1.00 0.00 C ATOM 1882 O HIS A 114 -14.609 17.110 -11.597 1.00 0.00 O ATOM 1883 CB HIS A 114 -11.975 18.298 -10.816 1.00 0.00 C ATOM 1884 CG HIS A 114 -11.141 18.866 -11.927 1.00 0.00 C ATOM 1885 ND1 HIS A 114 -9.766 18.899 -11.876 1.00 0.00 N ATOM 1886 CD2 HIS A 114 -11.482 19.415 -13.118 1.00 0.00 C ATOM 1887 CE1 HIS A 114 -9.297 19.441 -12.981 1.00 0.00 C ATOM 1888 NE2 HIS A 114 -10.316 19.762 -13.750 1.00 0.00 N ATOM 0 H HIS A 114 -14.406 17.847 -9.224 1.00 0.00 H new ATOM 0 HA HIS A 114 -13.275 20.000 -10.862 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -11.434 18.417 -9.877 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -12.095 17.227 -10.981 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -12.484 19.553 -13.498 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -8.254 19.596 -13.216 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -10.249 20.199 -14.669 1.00 0.00 H new ATOM 1896 N HIS A 115 -14.883 19.126 -12.549 1.00 0.00 N ATOM 1897 CA HIS A 115 -15.869 18.651 -13.507 1.00 0.00 C ATOM 1898 C HIS A 115 -15.168 17.801 -14.560 1.00 0.00 C ATOM 1899 O HIS A 115 -14.623 18.321 -15.533 1.00 0.00 O ATOM 1900 CB HIS A 115 -16.598 19.835 -14.153 1.00 0.00 C ATOM 1901 CG HIS A 115 -17.961 19.505 -14.686 1.00 0.00 C ATOM 1902 ND1 HIS A 115 -18.216 19.268 -16.018 1.00 0.00 N ATOM 1903 CD2 HIS A 115 -19.155 19.403 -14.053 1.00 0.00 C ATOM 1904 CE1 HIS A 115 -19.507 19.038 -16.182 1.00 0.00 C ATOM 1905 NE2 HIS A 115 -20.101 19.113 -15.004 1.00 0.00 N ATOM 0 H HIS A 115 -14.658 20.118 -12.629 1.00 0.00 H new ATOM 0 HA HIS A 115 -16.615 18.042 -12.996 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -16.692 20.634 -13.417 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -15.986 20.222 -14.968 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -19.330 19.527 -12.995 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -19.995 18.824 -17.122 1.00 0.00 H new ATOM 0 HE2 HIS A 115 -21.097 18.978 -14.830 1.00 0.00 H new ATOM 1913 N HIS A 116 -15.149 16.493 -14.326 1.00 0.00 N ATOM 1914 CA HIS A 116 -14.399 15.565 -15.172 1.00 0.00 C ATOM 1915 C HIS A 116 -15.092 15.321 -16.506 1.00 0.00 C ATOM 1916 O HIS A 116 -14.445 14.979 -17.492 1.00 0.00 O ATOM 1917 CB HIS A 116 -14.145 14.232 -14.444 1.00 0.00 C ATOM 1918 CG HIS A 116 -15.370 13.573 -13.873 1.00 0.00 C ATOM 1919 ND1 HIS A 116 -16.114 12.634 -14.552 1.00 0.00 N ATOM 1920 CD2 HIS A 116 -15.961 13.707 -12.661 1.00 0.00 C ATOM 1921 CE1 HIS A 116 -17.108 12.223 -13.785 1.00 0.00 C ATOM 1922 NE2 HIS A 116 -17.038 12.857 -12.631 1.00 0.00 N ATOM 0 H HIS A 116 -15.646 16.048 -13.554 1.00 0.00 H new ATOM 0 HA HIS A 116 -13.438 16.034 -15.382 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -13.671 13.540 -15.140 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -13.435 14.407 -13.635 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -15.643 14.363 -11.864 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -17.853 11.490 -14.058 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -17.678 12.736 -11.846 1.00 0.00 H new ATOM 1930 N HIS A 117 -16.399 15.506 -16.544 1.00 0.00 N ATOM 1931 CA HIS A 117 -17.146 15.329 -17.778 1.00 0.00 C ATOM 1932 C HIS A 117 -18.270 16.342 -17.849 1.00 0.00 C ATOM 1933 CB HIS A 117 -17.702 13.905 -17.874 1.00 0.00 C ATOM 1934 CG HIS A 117 -18.400 13.616 -19.168 1.00 0.00 C ATOM 1935 ND1 HIS A 117 -19.731 13.280 -19.243 1.00 0.00 N ATOM 1936 CD2 HIS A 117 -17.938 13.603 -20.440 1.00 0.00 C ATOM 1937 CE1 HIS A 117 -20.061 13.074 -20.505 1.00 0.00 C ATOM 1938 NE2 HIS A 117 -18.992 13.266 -21.251 1.00 0.00 N ATOM 0 H HIS A 117 -16.964 15.777 -15.739 1.00 0.00 H new ATOM 0 HA HIS A 117 -16.473 15.488 -18.620 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -16.884 13.196 -17.747 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -18.398 13.740 -17.051 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -16.928 13.818 -20.757 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -21.041 12.795 -20.865 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -18.954 13.178 -22.267 1.00 0.00 H new TER 1946 HIS A 117