USER MOD reduce.3.24.130724 H: found=0, std=0, add=959, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 957 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 83 ASN : amide:sc= -1.42 K(o=-0.75,f=-2.3) USER MOD Set 1.2: A 103 THR OG1 : rot -29:sc= 0.663 USER MOD Single : A 1 GLY N :NH3+ -139:sc= 0.0515 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.188 X(o=-0.19,f=-0.14) USER MOD Single : A 14 ASN :FLIP amide:sc= 0.191 F(o=-1.1!,f=0.19) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.546 X(o=-0.55,f=-0.46) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 MET CE :methyl 134:sc= -0.227 (180deg=-1.18) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.0975 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 101:sc= 0.976 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.076) USER MOD Single : A 53 LYS NZ :NH3+ -123:sc= 0.0937 (180deg=-0.116) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 SER OG : rot 6:sc= 0.0377 USER MOD Single : A 71 GLN : amide:sc= -0.0712 K(o=-0.071,f=-1.7!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN :FLIP amide:sc= -3.68! C(o=-5!,f=-3.7!) USER MOD Single : A 78 GLN : amide:sc= -0.226! C(o=-0.23!,f=-5.5!) USER MOD Single : A 84 HIS : no HD1:sc= -0.0218 X(o=-0.022,f=-0.0082) USER MOD Single : A 85 THR OG1 : rot -21:sc= 0.891 USER MOD Single : A 89 GLN : amide:sc= -0.0519 K(o=-0.052,f=-1.9) USER MOD Single : A 90 ASN : amide:sc= -0.474 K(o=-0.47,f=-1.9!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 HIS :FLIP no HD1:sc= -4.32! F(o=-4.9,f=-4.3!) USER MOD Single : A 94 GLN : amide:sc=-0.00698 K(o=-0.007,f=-0.65) USER MOD Single : A 95 GLN : amide:sc= -0.0215 K(o=-0.021,f=-1) USER MOD Single : A 101 GLN : amide:sc= -0.126 K(o=-0.13,f=-2.1!) USER MOD Single : A 102 GLN : amide:sc= -0.438 X(o=-0.44,f=-0.42) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 117 HIS : no HD1:sc= -0.887 K(o=-0.89,f=-2) USER MOD Single : A 118 THR OG1 : rot 36:sc= 0.207 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= -0.0678 USER MOD Single : A 122 THR OG1 : rot 180:sc= -0.064 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 72:sc= 0.388 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 24.214 -5.295 -8.496 1.00 0.00 N ATOM 2 CA GLY A 1 23.984 -5.025 -9.903 1.00 0.00 C ATOM 3 C GLY A 1 23.715 -3.558 -10.175 1.00 0.00 C ATOM 4 O GLY A 1 24.110 -2.692 -9.395 1.00 0.00 O ATOM 0 H1 GLY A 1 24.992 -5.977 -8.396 1.00 0.00 H new ATOM 0 H2 GLY A 1 24.464 -4.411 -8.009 1.00 0.00 H new ATOM 0 H3 GLY A 1 23.350 -5.691 -8.073 1.00 0.00 H new ATOM 0 HA2 GLY A 1 24.853 -5.345 -10.478 1.00 0.00 H new ATOM 0 HA3 GLY A 1 23.137 -5.617 -10.250 1.00 0.00 H new ATOM 8 N SER A 2 23.042 -3.278 -11.287 1.00 0.00 N ATOM 9 CA SER A 2 22.726 -1.905 -11.663 1.00 0.00 C ATOM 10 C SER A 2 21.264 -1.584 -11.367 1.00 0.00 C ATOM 11 O SER A 2 20.501 -2.449 -10.938 1.00 0.00 O ATOM 12 CB SER A 2 23.018 -1.681 -13.148 1.00 0.00 C ATOM 13 OG SER A 2 22.147 -2.447 -13.961 1.00 0.00 O ATOM 0 H SER A 2 22.705 -3.983 -11.943 1.00 0.00 H new ATOM 0 HA SER A 2 23.354 -1.238 -11.072 1.00 0.00 H new ATOM 0 HB2 SER A 2 22.908 -0.623 -13.388 1.00 0.00 H new ATOM 0 HB3 SER A 2 24.052 -1.951 -13.363 1.00 0.00 H new ATOM 0 HG SER A 2 22.353 -2.284 -14.905 1.00 0.00 H new ATOM 19 N SER A 3 20.881 -0.332 -11.599 1.00 0.00 N ATOM 20 CA SER A 3 19.512 0.106 -11.354 1.00 0.00 C ATOM 21 C SER A 3 18.703 0.110 -12.648 1.00 0.00 C ATOM 22 O SER A 3 19.019 0.837 -13.589 1.00 0.00 O ATOM 23 CB SER A 3 19.506 1.503 -10.731 1.00 0.00 C ATOM 24 OG SER A 3 20.333 1.553 -9.581 1.00 0.00 O ATOM 0 H SER A 3 21.499 0.396 -11.956 1.00 0.00 H new ATOM 0 HA SER A 3 19.050 -0.596 -10.660 1.00 0.00 H new ATOM 0 HB2 SER A 3 19.852 2.232 -11.463 1.00 0.00 H new ATOM 0 HB3 SER A 3 18.487 1.780 -10.462 1.00 0.00 H new ATOM 0 HG SER A 3 20.313 2.457 -9.203 1.00 0.00 H new ATOM 30 N GLY A 4 17.656 -0.709 -12.686 1.00 0.00 N ATOM 31 CA GLY A 4 16.818 -0.786 -13.868 1.00 0.00 C ATOM 32 C GLY A 4 15.728 -1.832 -13.739 1.00 0.00 C ATOM 33 O GLY A 4 15.266 -2.124 -12.636 1.00 0.00 O ATOM 0 H GLY A 4 17.374 -1.320 -11.920 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.363 0.188 -14.051 1.00 0.00 H new ATOM 0 HA3 GLY A 4 17.438 -1.016 -14.735 1.00 0.00 H new ATOM 37 N SER A 5 15.315 -2.397 -14.869 1.00 0.00 N ATOM 38 CA SER A 5 14.269 -3.412 -14.878 1.00 0.00 C ATOM 39 C SER A 5 14.096 -4.001 -16.275 1.00 0.00 C ATOM 40 O SER A 5 13.683 -3.309 -17.206 1.00 0.00 O ATOM 41 CB SER A 5 12.945 -2.816 -14.396 1.00 0.00 C ATOM 42 OG SER A 5 11.874 -3.721 -14.599 1.00 0.00 O ATOM 0 H SER A 5 15.689 -2.169 -15.790 1.00 0.00 H new ATOM 0 HA SER A 5 14.567 -4.211 -14.199 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.019 -2.567 -13.337 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.746 -1.886 -14.929 1.00 0.00 H new ATOM 0 HG SER A 5 11.040 -3.317 -14.281 1.00 0.00 H new ATOM 48 N SER A 6 14.415 -5.284 -16.413 1.00 0.00 N ATOM 49 CA SER A 6 14.299 -5.966 -17.697 1.00 0.00 C ATOM 50 C SER A 6 12.834 -6.182 -18.067 1.00 0.00 C ATOM 51 O SER A 6 12.385 -5.769 -19.136 1.00 0.00 O ATOM 52 CB SER A 6 15.028 -7.311 -17.651 1.00 0.00 C ATOM 53 OG SER A 6 16.416 -7.131 -17.431 1.00 0.00 O ATOM 0 H SER A 6 14.756 -5.872 -15.652 1.00 0.00 H new ATOM 0 HA SER A 6 14.759 -5.336 -18.458 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.608 -7.929 -16.857 1.00 0.00 H new ATOM 0 HB3 SER A 6 14.871 -7.845 -18.588 1.00 0.00 H new ATOM 0 HG SER A 6 16.859 -8.005 -17.404 1.00 0.00 H new ATOM 59 N GLY A 7 12.094 -6.832 -17.174 1.00 0.00 N ATOM 60 CA GLY A 7 10.688 -7.091 -17.424 1.00 0.00 C ATOM 61 C GLY A 7 10.119 -8.146 -16.496 1.00 0.00 C ATOM 62 O GLY A 7 10.768 -8.548 -15.529 1.00 0.00 O ATOM 0 H GLY A 7 12.443 -7.184 -16.282 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.125 -6.165 -17.306 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.559 -7.413 -18.457 1.00 0.00 H new ATOM 66 N LEU A 8 8.904 -8.596 -16.789 1.00 0.00 N ATOM 67 CA LEU A 8 8.246 -9.610 -15.972 1.00 0.00 C ATOM 68 C LEU A 8 8.635 -11.013 -16.429 1.00 0.00 C ATOM 69 O LEU A 8 8.651 -11.306 -17.624 1.00 0.00 O ATOM 70 CB LEU A 8 6.727 -9.442 -16.040 1.00 0.00 C ATOM 71 CG LEU A 8 6.152 -8.240 -15.291 1.00 0.00 C ATOM 72 CD1 LEU A 8 6.608 -8.246 -13.840 1.00 0.00 C ATOM 73 CD2 LEU A 8 6.557 -6.942 -15.973 1.00 0.00 C ATOM 0 H LEU A 8 8.354 -8.275 -17.586 1.00 0.00 H new ATOM 0 HA LEU A 8 8.574 -9.479 -14.941 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.436 -9.365 -17.088 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.263 -10.346 -15.646 1.00 0.00 H new ATOM 0 HG LEU A 8 5.065 -8.313 -15.309 1.00 0.00 H new ATOM 0 HD11 LEU A 8 6.189 -7.383 -13.323 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.267 -9.161 -13.355 1.00 0.00 H new ATOM 0 HD13 LEU A 8 7.696 -8.199 -13.800 1.00 0.00 H new ATOM 0 HD21 LEU A 8 6.138 -6.097 -15.426 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.644 -6.862 -15.987 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.179 -6.935 -16.995 1.00 0.00 H new ATOM 85 N GLY A 9 8.945 -11.878 -15.468 1.00 0.00 N ATOM 86 CA GLY A 9 9.327 -13.240 -15.791 1.00 0.00 C ATOM 87 C GLY A 9 8.333 -14.260 -15.272 1.00 0.00 C ATOM 88 O GLY A 9 7.149 -14.207 -15.604 1.00 0.00 O ATOM 0 H GLY A 9 8.938 -11.660 -14.472 1.00 0.00 H new ATOM 0 HA2 GLY A 9 9.416 -13.342 -16.873 1.00 0.00 H new ATOM 0 HA3 GLY A 9 10.310 -13.448 -15.369 1.00 0.00 H new ATOM 92 N ASN A 10 8.814 -15.192 -14.457 1.00 0.00 N ATOM 93 CA ASN A 10 7.959 -16.230 -13.893 1.00 0.00 C ATOM 94 C ASN A 10 6.670 -15.632 -13.339 1.00 0.00 C ATOM 95 O ASN A 10 5.578 -16.131 -13.605 1.00 0.00 O ATOM 96 CB ASN A 10 8.700 -16.986 -12.788 1.00 0.00 C ATOM 97 CG ASN A 10 10.107 -17.377 -13.198 1.00 0.00 C ATOM 98 OD1 ASN A 10 11.065 -17.157 -12.457 1.00 0.00 O ATOM 99 ND2 ASN A 10 10.237 -17.960 -14.384 1.00 0.00 N ATOM 0 H ASN A 10 9.792 -15.250 -14.172 1.00 0.00 H new ATOM 0 HA ASN A 10 7.702 -16.927 -14.691 1.00 0.00 H new ATOM 0 HB2 ASN A 10 8.745 -16.365 -11.894 1.00 0.00 H new ATOM 0 HB3 ASN A 10 8.139 -17.883 -12.526 1.00 0.00 H new ATOM 0 HD21 ASN A 10 11.159 -18.245 -14.714 1.00 0.00 H new ATOM 0 HD22 ASN A 10 9.415 -18.123 -14.965 1.00 0.00 H new ATOM 106 N GLU A 11 6.807 -14.558 -12.567 1.00 0.00 N ATOM 107 CA GLU A 11 5.653 -13.891 -11.975 1.00 0.00 C ATOM 108 C GLU A 11 5.428 -12.524 -12.614 1.00 0.00 C ATOM 109 O GLU A 11 6.380 -11.815 -12.941 1.00 0.00 O ATOM 110 CB GLU A 11 5.844 -13.736 -10.465 1.00 0.00 C ATOM 111 CG GLU A 11 7.211 -13.198 -10.077 1.00 0.00 C ATOM 112 CD GLU A 11 8.273 -14.279 -10.033 1.00 0.00 C ATOM 113 OE1 GLU A 11 8.091 -15.260 -9.283 1.00 0.00 O ATOM 114 OE2 GLU A 11 9.287 -14.144 -10.750 1.00 0.00 O ATOM 0 H GLU A 11 7.705 -14.132 -12.337 1.00 0.00 H new ATOM 0 HA GLU A 11 4.774 -14.508 -12.161 1.00 0.00 H new ATOM 0 HB2 GLU A 11 5.076 -13.067 -10.077 1.00 0.00 H new ATOM 0 HB3 GLU A 11 5.695 -14.704 -9.987 1.00 0.00 H new ATOM 0 HG2 GLU A 11 7.510 -12.429 -10.789 1.00 0.00 H new ATOM 0 HG3 GLU A 11 7.145 -12.719 -9.100 1.00 0.00 H new ATOM 121 N ASP A 12 4.162 -12.160 -12.789 1.00 0.00 N ATOM 122 CA ASP A 12 3.810 -10.878 -13.388 1.00 0.00 C ATOM 123 C ASP A 12 3.167 -9.955 -12.357 1.00 0.00 C ATOM 124 O ASP A 12 2.679 -10.408 -11.321 1.00 0.00 O ATOM 125 CB ASP A 12 2.860 -11.085 -14.568 1.00 0.00 C ATOM 126 CG ASP A 12 1.477 -11.523 -14.128 1.00 0.00 C ATOM 127 OD1 ASP A 12 0.755 -10.697 -13.532 1.00 0.00 O ATOM 128 OD2 ASP A 12 1.117 -12.691 -14.381 1.00 0.00 O ATOM 0 H ASP A 12 3.362 -12.735 -12.524 1.00 0.00 H new ATOM 0 HA ASP A 12 4.726 -10.410 -13.748 1.00 0.00 H new ATOM 0 HB2 ASP A 12 2.781 -10.157 -15.134 1.00 0.00 H new ATOM 0 HB3 ASP A 12 3.278 -11.834 -15.240 1.00 0.00 H new ATOM 133 N PHE A 13 3.171 -8.658 -12.648 1.00 0.00 N ATOM 134 CA PHE A 13 2.590 -7.671 -11.745 1.00 0.00 C ATOM 135 C PHE A 13 1.338 -8.222 -11.070 1.00 0.00 C ATOM 136 O PHE A 13 1.247 -8.260 -9.843 1.00 0.00 O ATOM 137 CB PHE A 13 2.248 -6.390 -12.509 1.00 0.00 C ATOM 138 CG PHE A 13 1.631 -5.325 -11.648 1.00 0.00 C ATOM 139 CD1 PHE A 13 2.178 -5.009 -10.415 1.00 0.00 C ATOM 140 CD2 PHE A 13 0.502 -4.642 -12.071 1.00 0.00 C ATOM 141 CE1 PHE A 13 1.612 -4.029 -9.620 1.00 0.00 C ATOM 142 CE2 PHE A 13 -0.068 -3.661 -11.281 1.00 0.00 C ATOM 143 CZ PHE A 13 0.487 -3.356 -10.054 1.00 0.00 C ATOM 0 H PHE A 13 3.570 -8.266 -13.501 1.00 0.00 H new ATOM 0 HA PHE A 13 3.326 -7.442 -10.975 1.00 0.00 H new ATOM 0 HB2 PHE A 13 3.156 -5.996 -12.966 1.00 0.00 H new ATOM 0 HB3 PHE A 13 1.562 -6.633 -13.320 1.00 0.00 H new ATOM 0 HD1 PHE A 13 3.057 -5.534 -10.071 1.00 0.00 H new ATOM 0 HD2 PHE A 13 0.062 -4.879 -13.029 1.00 0.00 H new ATOM 0 HE1 PHE A 13 2.049 -3.791 -8.662 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.946 -3.134 -11.623 1.00 0.00 H new ATOM 0 HZ PHE A 13 0.042 -2.592 -9.434 1.00 0.00 H new ATOM 153 N ASN A 14 0.374 -8.649 -11.880 1.00 0.00 N ATOM 154 CA ASN A 14 -0.873 -9.197 -11.361 1.00 0.00 C ATOM 155 C ASN A 14 -0.605 -10.390 -10.448 1.00 0.00 C ATOM 156 O ASN A 14 -1.306 -10.597 -9.458 1.00 0.00 O ATOM 157 CB ASN A 14 -1.788 -9.618 -12.513 1.00 0.00 C ATOM 158 CG ASN A 14 -1.935 -8.531 -13.561 1.00 0.00 C ATOM 159 OD1 ASN A 14 -0.980 -8.464 -14.481 1.00 0.00 O flip ATOM 160 ND2 ASN A 14 -2.896 -7.762 -13.543 1.00 0.00 N flip ATOM 0 H ASN A 14 0.433 -8.626 -12.898 1.00 0.00 H new ATOM 0 HA ASN A 14 -1.367 -8.420 -10.778 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -1.389 -10.518 -12.980 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -2.771 -9.873 -12.118 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -3.607 -7.851 -12.817 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -2.982 -7.036 -14.255 1.00 0.00 H new ATOM 167 N SER A 15 0.414 -11.173 -10.790 1.00 0.00 N ATOM 168 CA SER A 15 0.773 -12.347 -10.004 1.00 0.00 C ATOM 169 C SER A 15 1.374 -11.939 -8.662 1.00 0.00 C ATOM 170 O SER A 15 0.881 -12.329 -7.604 1.00 0.00 O ATOM 171 CB SER A 15 1.764 -13.220 -10.776 1.00 0.00 C ATOM 172 OG SER A 15 1.692 -14.570 -10.352 1.00 0.00 O ATOM 0 H SER A 15 1.005 -11.015 -11.606 1.00 0.00 H new ATOM 0 HA SER A 15 -0.135 -12.920 -9.816 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.552 -13.159 -11.844 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.776 -12.843 -10.630 1.00 0.00 H new ATOM 0 HG SER A 15 2.334 -15.108 -10.862 1.00 0.00 H new ATOM 178 N VAL A 16 2.443 -11.151 -8.715 1.00 0.00 N ATOM 179 CA VAL A 16 3.113 -10.689 -7.505 1.00 0.00 C ATOM 180 C VAL A 16 2.119 -10.067 -6.530 1.00 0.00 C ATOM 181 O VAL A 16 2.161 -10.334 -5.329 1.00 0.00 O ATOM 182 CB VAL A 16 4.210 -9.659 -7.829 1.00 0.00 C ATOM 183 CG1 VAL A 16 3.681 -8.596 -8.780 1.00 0.00 C ATOM 184 CG2 VAL A 16 4.741 -9.026 -6.552 1.00 0.00 C ATOM 0 H VAL A 16 2.864 -10.819 -9.583 1.00 0.00 H new ATOM 0 HA VAL A 16 3.572 -11.564 -7.044 1.00 0.00 H new ATOM 0 HB VAL A 16 5.034 -10.175 -8.321 1.00 0.00 H new ATOM 0 HG11 VAL A 16 4.471 -7.877 -8.997 1.00 0.00 H new ATOM 0 HG12 VAL A 16 3.354 -9.067 -9.707 1.00 0.00 H new ATOM 0 HG13 VAL A 16 2.839 -8.081 -8.318 1.00 0.00 H new ATOM 0 HG21 VAL A 16 5.516 -8.301 -6.800 1.00 0.00 H new ATOM 0 HG22 VAL A 16 3.927 -8.523 -6.029 1.00 0.00 H new ATOM 0 HG23 VAL A 16 5.161 -9.800 -5.910 1.00 0.00 H new ATOM 194 N ILE A 17 1.225 -9.236 -7.056 1.00 0.00 N ATOM 195 CA ILE A 17 0.218 -8.577 -6.233 1.00 0.00 C ATOM 196 C ILE A 17 -0.750 -9.590 -5.632 1.00 0.00 C ATOM 197 O ILE A 17 -1.038 -9.552 -4.436 1.00 0.00 O ATOM 198 CB ILE A 17 -0.580 -7.539 -7.044 1.00 0.00 C ATOM 199 CG1 ILE A 17 0.346 -6.431 -7.549 1.00 0.00 C ATOM 200 CG2 ILE A 17 -1.701 -6.955 -6.197 1.00 0.00 C ATOM 201 CD1 ILE A 17 0.943 -5.591 -6.442 1.00 0.00 C ATOM 0 H ILE A 17 1.178 -9.003 -8.048 1.00 0.00 H new ATOM 0 HA ILE A 17 0.751 -8.067 -5.430 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.023 -8.036 -7.907 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.153 -6.879 -8.129 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.211 -5.783 -8.225 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.256 -6.223 -6.783 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.373 -7.753 -5.882 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.278 -6.470 -5.318 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.588 -4.826 -6.874 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.143 -5.114 -5.876 1.00 0.00 H new ATOM 0 HD13 ILE A 17 1.528 -6.227 -5.778 1.00 0.00 H new ATOM 213 N GLN A 18 -1.247 -10.495 -6.469 1.00 0.00 N ATOM 214 CA GLN A 18 -2.182 -11.519 -6.019 1.00 0.00 C ATOM 215 C GLN A 18 -1.536 -12.426 -4.976 1.00 0.00 C ATOM 216 O GLN A 18 -2.221 -13.005 -4.134 1.00 0.00 O ATOM 217 CB GLN A 18 -2.668 -12.353 -7.206 1.00 0.00 C ATOM 218 CG GLN A 18 -3.803 -11.704 -7.980 1.00 0.00 C ATOM 219 CD GLN A 18 -4.894 -11.166 -7.076 1.00 0.00 C ATOM 220 OE1 GLN A 18 -5.347 -10.032 -7.237 1.00 0.00 O ATOM 221 NE2 GLN A 18 -5.323 -11.978 -6.117 1.00 0.00 N ATOM 0 H GLN A 18 -1.018 -10.540 -7.462 1.00 0.00 H new ATOM 0 HA GLN A 18 -3.036 -11.019 -5.561 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -1.832 -12.529 -7.883 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -2.996 -13.328 -6.845 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.405 -10.890 -8.587 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.233 -12.433 -8.667 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -4.920 -12.910 -6.019 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -6.056 -11.670 -5.478 1.00 0.00 H new ATOM 230 N GLN A 19 -0.213 -12.543 -5.039 1.00 0.00 N ATOM 231 CA GLN A 19 0.524 -13.380 -4.101 1.00 0.00 C ATOM 232 C GLN A 19 0.719 -12.663 -2.768 1.00 0.00 C ATOM 233 O GLN A 19 0.673 -13.283 -1.707 1.00 0.00 O ATOM 234 CB GLN A 19 1.883 -13.767 -4.688 1.00 0.00 C ATOM 235 CG GLN A 19 1.812 -14.924 -5.672 1.00 0.00 C ATOM 236 CD GLN A 19 3.084 -15.749 -5.694 1.00 0.00 C ATOM 237 OE1 GLN A 19 3.299 -16.604 -4.834 1.00 0.00 O ATOM 238 NE2 GLN A 19 3.936 -15.497 -6.681 1.00 0.00 N ATOM 0 H GLN A 19 0.369 -12.069 -5.729 1.00 0.00 H new ATOM 0 HA GLN A 19 -0.059 -14.284 -3.925 1.00 0.00 H new ATOM 0 HB2 GLN A 19 2.313 -12.900 -5.189 1.00 0.00 H new ATOM 0 HB3 GLN A 19 2.559 -14.033 -3.875 1.00 0.00 H new ATOM 0 HG2 GLN A 19 0.971 -15.567 -5.412 1.00 0.00 H new ATOM 0 HG3 GLN A 19 1.618 -14.535 -6.672 1.00 0.00 H new ATOM 0 HE21 GLN A 19 3.718 -14.780 -7.372 1.00 0.00 H new ATOM 0 HE22 GLN A 19 4.809 -16.021 -6.748 1.00 0.00 H new ATOM 247 N MET A 20 0.937 -11.354 -2.833 1.00 0.00 N ATOM 248 CA MET A 20 1.138 -10.553 -1.631 1.00 0.00 C ATOM 249 C MET A 20 -0.186 -10.304 -0.916 1.00 0.00 C ATOM 250 O MET A 20 -0.229 -10.194 0.309 1.00 0.00 O ATOM 251 CB MET A 20 1.799 -9.219 -1.986 1.00 0.00 C ATOM 252 CG MET A 20 3.106 -9.371 -2.746 1.00 0.00 C ATOM 253 SD MET A 20 3.424 -7.993 -3.864 1.00 0.00 S ATOM 254 CE MET A 20 3.807 -6.691 -2.695 1.00 0.00 C ATOM 0 H MET A 20 0.979 -10.825 -3.704 1.00 0.00 H new ATOM 0 HA MET A 20 1.794 -11.108 -0.960 1.00 0.00 H new ATOM 0 HB2 MET A 20 1.106 -8.628 -2.585 1.00 0.00 H new ATOM 0 HB3 MET A 20 1.984 -8.660 -1.069 1.00 0.00 H new ATOM 0 HG2 MET A 20 3.928 -9.454 -2.035 1.00 0.00 H new ATOM 0 HG3 MET A 20 3.084 -10.299 -3.317 1.00 0.00 H new ATOM 0 HE1 MET A 20 4.698 -6.157 -3.024 1.00 0.00 H new ATOM 0 HE2 MET A 20 2.969 -5.997 -2.636 1.00 0.00 H new ATOM 0 HE3 MET A 20 3.987 -7.126 -1.712 1.00 0.00 H new ATOM 264 N ALA A 21 -1.263 -10.215 -1.689 1.00 0.00 N ATOM 265 CA ALA A 21 -2.588 -9.981 -1.129 1.00 0.00 C ATOM 266 C ALA A 21 -3.139 -11.243 -0.475 1.00 0.00 C ATOM 267 O ALA A 21 -3.719 -11.188 0.609 1.00 0.00 O ATOM 268 CB ALA A 21 -3.539 -9.487 -2.210 1.00 0.00 C ATOM 0 H ALA A 21 -1.244 -10.301 -2.705 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.499 -9.214 -0.360 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.525 -9.316 -1.777 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.161 -8.555 -2.629 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.614 -10.236 -2.999 1.00 0.00 H new ATOM 274 N GLN A 22 -2.954 -12.379 -1.141 1.00 0.00 N ATOM 275 CA GLN A 22 -3.434 -13.655 -0.623 1.00 0.00 C ATOM 276 C GLN A 22 -4.955 -13.660 -0.515 1.00 0.00 C ATOM 277 O GLN A 22 -5.512 -14.031 0.517 1.00 0.00 O ATOM 278 CB GLN A 22 -2.812 -13.940 0.745 1.00 0.00 C ATOM 279 CG GLN A 22 -1.297 -13.819 0.762 1.00 0.00 C ATOM 280 CD GLN A 22 -0.647 -14.762 1.756 1.00 0.00 C ATOM 281 OE1 GLN A 22 -0.357 -14.382 2.891 1.00 0.00 O ATOM 282 NE2 GLN A 22 -0.415 -15.999 1.334 1.00 0.00 N ATOM 0 H GLN A 22 -2.476 -12.442 -2.040 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.135 -14.438 -1.320 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -3.231 -13.249 1.476 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -3.091 -14.946 1.059 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -0.909 -14.025 -0.236 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -1.021 -12.793 1.006 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -0.672 -16.271 0.385 1.00 0.00 H new ATOM 0 HE22 GLN A 22 0.020 -16.678 1.959 1.00 0.00 H new ATOM 291 N GLY A 23 -5.621 -13.246 -1.588 1.00 0.00 N ATOM 292 CA GLY A 23 -7.072 -13.211 -1.593 1.00 0.00 C ATOM 293 C GLY A 23 -7.621 -11.868 -1.155 1.00 0.00 C ATOM 294 O GLY A 23 -8.605 -11.380 -1.711 1.00 0.00 O ATOM 0 H GLY A 23 -5.182 -12.934 -2.454 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.434 -13.439 -2.595 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.453 -13.989 -0.932 1.00 0.00 H new ATOM 298 N ARG A 24 -6.984 -11.268 -0.154 1.00 0.00 N ATOM 299 CA ARG A 24 -7.417 -9.974 0.360 1.00 0.00 C ATOM 300 C ARG A 24 -7.872 -9.062 -0.775 1.00 0.00 C ATOM 301 O ARG A 24 -7.245 -9.013 -1.833 1.00 0.00 O ATOM 302 CB ARG A 24 -6.283 -9.307 1.141 1.00 0.00 C ATOM 303 CG ARG A 24 -6.261 -9.672 2.616 1.00 0.00 C ATOM 304 CD ARG A 24 -4.956 -9.254 3.275 1.00 0.00 C ATOM 305 NE ARG A 24 -3.848 -10.127 2.896 1.00 0.00 N ATOM 306 CZ ARG A 24 -2.583 -9.895 3.228 1.00 0.00 C ATOM 307 NH1 ARG A 24 -2.268 -8.824 3.943 1.00 0.00 N ATOM 308 NH2 ARG A 24 -1.630 -10.736 2.846 1.00 0.00 N ATOM 0 H ARG A 24 -6.167 -11.657 0.317 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.261 -10.141 1.029 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -5.330 -9.588 0.692 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -6.374 -8.225 1.045 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.097 -9.190 3.123 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -6.398 -10.748 2.728 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.721 -8.227 2.995 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -5.076 -9.269 4.358 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.057 -10.960 2.346 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -2.998 -8.176 4.239 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -1.296 -8.648 4.197 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -1.869 -11.562 2.297 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -0.659 -10.557 3.102 1.00 0.00 H new ATOM 322 N GLN A 25 -8.966 -8.343 -0.547 1.00 0.00 N ATOM 323 CA GLN A 25 -9.506 -7.434 -1.552 1.00 0.00 C ATOM 324 C GLN A 25 -8.570 -6.251 -1.774 1.00 0.00 C ATOM 325 O GLN A 25 -8.333 -5.456 -0.864 1.00 0.00 O ATOM 326 CB GLN A 25 -10.888 -6.934 -1.128 1.00 0.00 C ATOM 327 CG GLN A 25 -11.415 -5.798 -1.990 1.00 0.00 C ATOM 328 CD GLN A 25 -12.743 -5.259 -1.497 1.00 0.00 C ATOM 329 OE1 GLN A 25 -13.472 -5.939 -0.775 1.00 0.00 O ATOM 330 NE2 GLN A 25 -13.064 -4.030 -1.885 1.00 0.00 N ATOM 0 H GLN A 25 -9.496 -8.372 0.324 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.598 -7.982 -2.490 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -11.593 -7.765 -1.165 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -10.842 -6.601 -0.091 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -10.683 -4.990 -2.007 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -11.528 -6.148 -3.016 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -12.429 -3.502 -2.484 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -13.945 -3.614 -1.584 1.00 0.00 H new ATOM 339 N ILE A 26 -8.041 -6.141 -2.988 1.00 0.00 N ATOM 340 CA ILE A 26 -7.132 -5.054 -3.329 1.00 0.00 C ATOM 341 C ILE A 26 -7.900 -3.816 -3.779 1.00 0.00 C ATOM 342 O ILE A 26 -8.910 -3.919 -4.473 1.00 0.00 O ATOM 343 CB ILE A 26 -6.151 -5.468 -4.441 1.00 0.00 C ATOM 344 CG1 ILE A 26 -5.463 -6.786 -4.079 1.00 0.00 C ATOM 345 CG2 ILE A 26 -5.121 -4.373 -4.674 1.00 0.00 C ATOM 346 CD1 ILE A 26 -4.795 -7.462 -5.256 1.00 0.00 C ATOM 0 H ILE A 26 -8.226 -6.791 -3.752 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.567 -4.820 -2.426 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.712 -5.614 -5.364 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.717 -6.597 -3.307 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -6.200 -7.465 -3.650 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.435 -4.681 -5.463 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.627 -3.455 -4.971 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.562 -4.198 -3.755 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.328 -8.390 -4.926 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.540 -7.683 -6.020 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -4.034 -6.801 -5.672 1.00 0.00 H new ATOM 358 N GLU A 27 -7.411 -2.645 -3.379 1.00 0.00 N ATOM 359 CA GLU A 27 -8.052 -1.387 -3.743 1.00 0.00 C ATOM 360 C GLU A 27 -7.027 -0.387 -4.271 1.00 0.00 C ATOM 361 O GLU A 27 -5.940 -0.242 -3.711 1.00 0.00 O ATOM 362 CB GLU A 27 -8.784 -0.795 -2.537 1.00 0.00 C ATOM 363 CG GLU A 27 -10.225 -1.261 -2.411 1.00 0.00 C ATOM 364 CD GLU A 27 -10.997 -1.129 -3.709 1.00 0.00 C ATOM 365 OE1 GLU A 27 -10.960 -2.079 -4.520 1.00 0.00 O ATOM 366 OE2 GLU A 27 -11.637 -0.078 -3.915 1.00 0.00 O ATOM 0 H GLU A 27 -6.575 -2.542 -2.804 1.00 0.00 H new ATOM 0 HA GLU A 27 -8.774 -1.592 -4.533 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.244 -1.061 -1.628 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -8.768 0.292 -2.611 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.239 -2.302 -2.089 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -10.724 -0.680 -1.635 1.00 0.00 H new ATOM 373 N TYR A 28 -7.381 0.299 -5.351 1.00 0.00 N ATOM 374 CA TYR A 28 -6.491 1.283 -5.957 1.00 0.00 C ATOM 375 C TYR A 28 -6.648 2.645 -5.287 1.00 0.00 C ATOM 376 O TYR A 28 -7.644 3.339 -5.493 1.00 0.00 O ATOM 377 CB TYR A 28 -6.775 1.404 -7.455 1.00 0.00 C ATOM 378 CG TYR A 28 -7.064 0.079 -8.125 1.00 0.00 C ATOM 379 CD1 TYR A 28 -6.120 -0.939 -8.132 1.00 0.00 C ATOM 380 CD2 TYR A 28 -8.282 -0.153 -8.752 1.00 0.00 C ATOM 381 CE1 TYR A 28 -6.380 -2.151 -8.743 1.00 0.00 C ATOM 382 CE2 TYR A 28 -8.551 -1.361 -9.365 1.00 0.00 C ATOM 383 CZ TYR A 28 -7.597 -2.357 -9.358 1.00 0.00 C ATOM 384 OH TYR A 28 -7.861 -3.562 -9.968 1.00 0.00 O ATOM 0 H TYR A 28 -8.278 0.192 -5.825 1.00 0.00 H new ATOM 0 HA TYR A 28 -5.465 0.944 -5.814 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -7.626 2.069 -7.603 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -5.918 1.869 -7.942 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -5.166 -0.781 -7.652 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -9.031 0.625 -8.760 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -5.634 -2.932 -8.739 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -9.503 -1.525 -9.847 1.00 0.00 H new ATOM 0 HH TYR A 28 -8.762 -3.544 -10.352 1.00 0.00 H new ATOM 394 N ILE A 29 -5.658 3.020 -4.485 1.00 0.00 N ATOM 395 CA ILE A 29 -5.684 4.299 -3.786 1.00 0.00 C ATOM 396 C ILE A 29 -5.079 5.406 -4.642 1.00 0.00 C ATOM 397 O ILE A 29 -3.888 5.383 -4.954 1.00 0.00 O ATOM 398 CB ILE A 29 -4.923 4.225 -2.449 1.00 0.00 C ATOM 399 CG1 ILE A 29 -5.297 2.948 -1.694 1.00 0.00 C ATOM 400 CG2 ILE A 29 -5.221 5.454 -1.602 1.00 0.00 C ATOM 401 CD1 ILE A 29 -6.787 2.772 -1.505 1.00 0.00 C ATOM 0 H ILE A 29 -4.828 2.456 -4.303 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.731 4.529 -3.587 1.00 0.00 H new ATOM 0 HB ILE A 29 -3.853 4.201 -2.657 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.903 2.087 -2.235 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.814 2.959 -0.717 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -4.676 5.388 -0.660 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -4.910 6.350 -2.139 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.291 5.506 -1.399 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.978 1.846 -0.962 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -7.184 3.614 -0.937 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -7.275 2.729 -2.479 1.00 0.00 H new ATOM 413 N ASP A 30 -5.906 6.375 -5.019 1.00 0.00 N ATOM 414 CA ASP A 30 -5.453 7.493 -5.837 1.00 0.00 C ATOM 415 C ASP A 30 -5.169 8.718 -4.973 1.00 0.00 C ATOM 416 O ASP A 30 -6.091 9.357 -4.463 1.00 0.00 O ATOM 417 CB ASP A 30 -6.499 7.833 -6.899 1.00 0.00 C ATOM 418 CG ASP A 30 -6.254 9.184 -7.542 1.00 0.00 C ATOM 419 OD1 ASP A 30 -5.242 9.324 -8.259 1.00 0.00 O ATOM 420 OD2 ASP A 30 -7.074 10.102 -7.326 1.00 0.00 O ATOM 0 H ASP A 30 -6.895 6.408 -4.771 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.528 7.198 -6.332 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.495 7.061 -7.669 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.490 7.825 -6.445 1.00 0.00 H new ATOM 425 N ILE A 31 -3.890 9.040 -4.813 1.00 0.00 N ATOM 426 CA ILE A 31 -3.486 10.188 -4.011 1.00 0.00 C ATOM 427 C ILE A 31 -3.020 11.339 -4.895 1.00 0.00 C ATOM 428 O ILE A 31 -2.237 11.143 -5.825 1.00 0.00 O ATOM 429 CB ILE A 31 -2.358 9.820 -3.030 1.00 0.00 C ATOM 430 CG1 ILE A 31 -2.886 8.888 -1.937 1.00 0.00 C ATOM 431 CG2 ILE A 31 -1.758 11.077 -2.416 1.00 0.00 C ATOM 432 CD1 ILE A 31 -1.793 8.187 -1.161 1.00 0.00 C ATOM 0 H ILE A 31 -3.116 8.522 -5.228 1.00 0.00 H new ATOM 0 HA ILE A 31 -4.362 10.501 -3.443 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.575 9.298 -3.580 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.500 9.464 -1.245 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.535 8.140 -2.391 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.962 10.800 -1.725 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.350 11.708 -3.205 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.532 11.624 -1.878 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.240 7.543 -0.403 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.193 7.583 -1.842 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.157 8.929 -0.678 1.00 0.00 H new ATOM 444 N GLU A 32 -3.506 12.541 -4.598 1.00 0.00 N ATOM 445 CA GLU A 32 -3.137 13.724 -5.367 1.00 0.00 C ATOM 446 C GLU A 32 -1.950 14.439 -4.729 1.00 0.00 C ATOM 447 O GLU A 32 -2.115 15.240 -3.809 1.00 0.00 O ATOM 448 CB GLU A 32 -4.326 14.682 -5.472 1.00 0.00 C ATOM 449 CG GLU A 32 -3.930 16.109 -5.810 1.00 0.00 C ATOM 450 CD GLU A 32 -5.039 16.872 -6.510 1.00 0.00 C ATOM 451 OE1 GLU A 32 -5.740 16.264 -7.345 1.00 0.00 O ATOM 452 OE2 GLU A 32 -5.205 18.075 -6.222 1.00 0.00 O ATOM 0 H GLU A 32 -4.155 12.721 -3.832 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.850 13.401 -6.367 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.012 14.314 -6.235 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.869 14.679 -4.527 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.656 16.633 -4.894 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.045 16.096 -6.447 1.00 0.00 H new ATOM 459 N ARG A 33 -0.753 14.143 -5.225 1.00 0.00 N ATOM 460 CA ARG A 33 0.463 14.755 -4.703 1.00 0.00 C ATOM 461 C ARG A 33 0.365 16.277 -4.740 1.00 0.00 C ATOM 462 O ARG A 33 0.306 16.894 -5.804 1.00 0.00 O ATOM 463 CB ARG A 33 1.679 14.292 -5.508 1.00 0.00 C ATOM 464 CG ARG A 33 2.378 13.081 -4.913 1.00 0.00 C ATOM 465 CD ARG A 33 3.498 13.492 -3.969 1.00 0.00 C ATOM 466 NE ARG A 33 2.984 14.090 -2.740 1.00 0.00 N ATOM 467 CZ ARG A 33 3.677 14.942 -1.992 1.00 0.00 C ATOM 468 NH1 ARG A 33 4.905 15.295 -2.348 1.00 0.00 N ATOM 469 NH2 ARG A 33 3.142 15.444 -0.887 1.00 0.00 N ATOM 0 H ARG A 33 -0.599 13.483 -5.988 1.00 0.00 H new ATOM 0 HA ARG A 33 0.581 14.441 -3.666 1.00 0.00 H new ATOM 0 HB2 ARG A 33 1.363 14.056 -6.524 1.00 0.00 H new ATOM 0 HB3 ARG A 33 2.392 15.114 -5.579 1.00 0.00 H new ATOM 0 HG2 ARG A 33 1.654 12.469 -4.375 1.00 0.00 H new ATOM 0 HG3 ARG A 33 2.784 12.464 -5.714 1.00 0.00 H new ATOM 0 HD2 ARG A 33 4.103 12.620 -3.722 1.00 0.00 H new ATOM 0 HD3 ARG A 33 4.154 14.203 -4.472 1.00 0.00 H new ATOM 0 HE ARG A 33 2.042 13.840 -2.439 1.00 0.00 H new ATOM 0 HH11 ARG A 33 5.320 14.912 -3.198 1.00 0.00 H new ATOM 0 HH12 ARG A 33 5.435 15.949 -1.772 1.00 0.00 H new ATOM 0 HH21 ARG A 33 2.197 15.176 -0.610 1.00 0.00 H new ATOM 0 HH22 ARG A 33 3.675 16.098 -0.314 1.00 0.00 H new ATOM 483 N PRO A 34 0.345 16.898 -3.551 1.00 0.00 N ATOM 484 CA PRO A 34 0.254 18.356 -3.421 1.00 0.00 C ATOM 485 C PRO A 34 1.527 19.060 -3.878 1.00 0.00 C ATOM 486 O PRO A 34 2.358 18.472 -4.571 1.00 0.00 O ATOM 487 CB PRO A 34 0.037 18.565 -1.920 1.00 0.00 C ATOM 488 CG PRO A 34 0.633 17.359 -1.280 1.00 0.00 C ATOM 489 CD PRO A 34 0.412 16.226 -2.243 1.00 0.00 C ATOM 0 HA PRO A 34 -0.539 18.772 -4.043 1.00 0.00 H new ATOM 0 HB2 PRO A 34 0.522 19.478 -1.573 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -1.023 18.657 -1.682 1.00 0.00 H new ATOM 0 HG2 PRO A 34 1.696 17.505 -1.087 1.00 0.00 H new ATOM 0 HG3 PRO A 34 0.160 17.153 -0.320 1.00 0.00 H new ATOM 0 HD2 PRO A 34 1.226 15.502 -2.205 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -0.508 15.684 -2.022 1.00 0.00 H new ATOM 497 N SER A 35 1.673 20.321 -3.486 1.00 0.00 N ATOM 498 CA SER A 35 2.844 21.107 -3.859 1.00 0.00 C ATOM 499 C SER A 35 4.051 20.719 -3.010 1.00 0.00 C ATOM 500 O SER A 35 4.981 20.071 -3.490 1.00 0.00 O ATOM 501 CB SER A 35 2.553 22.600 -3.702 1.00 0.00 C ATOM 502 OG SER A 35 1.842 23.102 -4.820 1.00 0.00 O ATOM 0 H SER A 35 0.995 20.821 -2.910 1.00 0.00 H new ATOM 0 HA SER A 35 3.075 20.898 -4.904 1.00 0.00 H new ATOM 0 HB2 SER A 35 1.974 22.767 -2.794 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.489 23.146 -3.588 1.00 0.00 H new ATOM 0 HG SER A 35 1.667 24.058 -4.694 1.00 0.00 H new ATOM 508 N THR A 36 4.028 21.121 -1.743 1.00 0.00 N ATOM 509 CA THR A 36 5.119 20.819 -0.825 1.00 0.00 C ATOM 510 C THR A 36 4.664 19.868 0.276 1.00 0.00 C ATOM 511 O THR A 36 5.227 18.787 0.447 1.00 0.00 O ATOM 512 CB THR A 36 5.683 22.099 -0.181 1.00 0.00 C ATOM 513 OG1 THR A 36 4.626 22.846 0.431 1.00 0.00 O ATOM 514 CG2 THR A 36 6.386 22.963 -1.218 1.00 0.00 C ATOM 0 H THR A 36 3.265 21.657 -1.329 1.00 0.00 H new ATOM 0 HA THR A 36 5.903 20.342 -1.413 1.00 0.00 H new ATOM 0 HB THR A 36 6.409 21.807 0.578 1.00 0.00 H new ATOM 0 HG1 THR A 36 4.993 23.658 0.840 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.776 23.861 -0.739 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.209 22.402 -1.662 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.678 23.245 -1.997 1.00 0.00 H new ATOM 522 N GLY A 37 3.641 20.277 1.020 1.00 0.00 N ATOM 523 CA GLY A 37 3.128 19.448 2.095 1.00 0.00 C ATOM 524 C GLY A 37 3.253 17.967 1.796 1.00 0.00 C ATOM 525 O GLY A 37 2.868 17.509 0.721 1.00 0.00 O ATOM 0 H GLY A 37 3.158 21.167 0.898 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.667 19.676 3.015 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.080 19.693 2.270 1.00 0.00 H new ATOM 529 N GLY A 38 3.796 17.216 2.750 1.00 0.00 N ATOM 530 CA GLY A 38 3.963 15.787 2.563 1.00 0.00 C ATOM 531 C GLY A 38 2.639 15.062 2.421 1.00 0.00 C ATOM 532 O GLY A 38 1.603 15.550 2.875 1.00 0.00 O ATOM 0 H GLY A 38 4.123 17.572 3.648 1.00 0.00 H new ATOM 0 HA2 GLY A 38 4.569 15.608 1.675 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.511 15.374 3.410 1.00 0.00 H new ATOM 536 N LEU A 39 2.671 13.895 1.787 1.00 0.00 N ATOM 537 CA LEU A 39 1.464 13.101 1.583 1.00 0.00 C ATOM 538 C LEU A 39 0.516 13.239 2.770 1.00 0.00 C ATOM 539 O LEU A 39 -0.703 13.185 2.614 1.00 0.00 O ATOM 540 CB LEU A 39 1.826 11.630 1.373 1.00 0.00 C ATOM 541 CG LEU A 39 3.167 11.361 0.689 1.00 0.00 C ATOM 542 CD1 LEU A 39 3.361 9.869 0.465 1.00 0.00 C ATOM 543 CD2 LEU A 39 3.254 12.115 -0.630 1.00 0.00 C ATOM 0 H LEU A 39 3.520 13.477 1.405 1.00 0.00 H new ATOM 0 HA LEU A 39 0.959 13.474 0.692 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.830 11.135 2.344 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.039 11.163 0.781 1.00 0.00 H new ATOM 0 HG LEU A 39 3.964 11.717 1.342 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.320 9.696 -0.023 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.343 9.352 1.424 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.559 9.489 -0.167 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.215 11.912 -1.103 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.449 11.789 -1.289 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.160 13.185 -0.444 1.00 0.00 H new ATOM 555 N GLY A 40 1.085 13.418 3.959 1.00 0.00 N ATOM 556 CA GLY A 40 0.276 13.563 5.155 1.00 0.00 C ATOM 557 C GLY A 40 0.012 12.237 5.840 1.00 0.00 C ATOM 558 O GLY A 40 -0.754 12.168 6.801 1.00 0.00 O ATOM 0 H GLY A 40 2.092 13.465 4.115 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.779 14.234 5.851 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.674 14.029 4.893 1.00 0.00 H new ATOM 562 N PHE A 41 0.646 11.180 5.343 1.00 0.00 N ATOM 563 CA PHE A 41 0.473 9.848 5.912 1.00 0.00 C ATOM 564 C PHE A 41 1.806 9.108 5.977 1.00 0.00 C ATOM 565 O PHE A 41 2.555 9.068 5.001 1.00 0.00 O ATOM 566 CB PHE A 41 -0.531 9.043 5.085 1.00 0.00 C ATOM 567 CG PHE A 41 0.086 8.350 3.903 1.00 0.00 C ATOM 568 CD1 PHE A 41 0.753 7.146 4.059 1.00 0.00 C ATOM 569 CD2 PHE A 41 -0.003 8.903 2.636 1.00 0.00 C ATOM 570 CE1 PHE A 41 1.321 6.507 2.974 1.00 0.00 C ATOM 571 CE2 PHE A 41 0.563 8.268 1.546 1.00 0.00 C ATOM 572 CZ PHE A 41 1.225 7.068 1.715 1.00 0.00 C ATOM 0 H PHE A 41 1.284 11.220 4.548 1.00 0.00 H new ATOM 0 HA PHE A 41 0.090 9.960 6.926 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.004 8.299 5.726 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.319 9.710 4.735 1.00 0.00 H new ATOM 0 HD1 PHE A 41 0.830 6.702 5.040 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.520 9.841 2.498 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.840 5.570 3.110 1.00 0.00 H new ATOM 0 HE2 PHE A 41 0.487 8.710 0.564 1.00 0.00 H new ATOM 0 HZ PHE A 41 1.667 6.569 0.865 1.00 0.00 H new ATOM 582 N SER A 42 2.095 8.522 7.135 1.00 0.00 N ATOM 583 CA SER A 42 3.339 7.786 7.330 1.00 0.00 C ATOM 584 C SER A 42 3.143 6.301 7.041 1.00 0.00 C ATOM 585 O SER A 42 2.030 5.853 6.764 1.00 0.00 O ATOM 586 CB SER A 42 3.849 7.976 8.760 1.00 0.00 C ATOM 587 OG SER A 42 4.378 9.278 8.944 1.00 0.00 O ATOM 0 H SER A 42 1.485 8.543 7.952 1.00 0.00 H new ATOM 0 HA SER A 42 4.078 8.179 6.632 1.00 0.00 H new ATOM 0 HB2 SER A 42 3.035 7.808 9.465 1.00 0.00 H new ATOM 0 HB3 SER A 42 4.617 7.234 8.977 1.00 0.00 H new ATOM 0 HG SER A 42 4.696 9.375 9.866 1.00 0.00 H new ATOM 593 N VAL A 43 4.232 5.543 7.107 1.00 0.00 N ATOM 594 CA VAL A 43 4.182 4.108 6.854 1.00 0.00 C ATOM 595 C VAL A 43 5.120 3.352 7.787 1.00 0.00 C ATOM 596 O VAL A 43 6.128 3.892 8.244 1.00 0.00 O ATOM 597 CB VAL A 43 4.553 3.782 5.395 1.00 0.00 C ATOM 598 CG1 VAL A 43 3.416 4.158 4.458 1.00 0.00 C ATOM 599 CG2 VAL A 43 5.838 4.495 5.002 1.00 0.00 C ATOM 0 H VAL A 43 5.161 5.899 7.334 1.00 0.00 H new ATOM 0 HA VAL A 43 3.156 3.790 7.040 1.00 0.00 H new ATOM 0 HB VAL A 43 4.720 2.708 5.311 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.696 3.920 3.432 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.521 3.598 4.729 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.214 5.226 4.541 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.086 4.254 3.968 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.701 5.572 5.101 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.648 4.171 5.655 1.00 0.00 H new ATOM 609 N VAL A 44 4.783 2.097 8.068 1.00 0.00 N ATOM 610 CA VAL A 44 5.597 1.264 8.946 1.00 0.00 C ATOM 611 C VAL A 44 6.108 0.029 8.213 1.00 0.00 C ATOM 612 O VAL A 44 5.454 -0.480 7.303 1.00 0.00 O ATOM 613 CB VAL A 44 4.805 0.819 10.190 1.00 0.00 C ATOM 614 CG1 VAL A 44 4.635 1.980 11.158 1.00 0.00 C ATOM 615 CG2 VAL A 44 3.454 0.250 9.785 1.00 0.00 C ATOM 0 H VAL A 44 3.952 1.635 7.700 1.00 0.00 H new ATOM 0 HA VAL A 44 6.445 1.871 9.263 1.00 0.00 H new ATOM 0 HB VAL A 44 5.367 0.034 10.696 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.073 1.647 12.031 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.615 2.338 11.473 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.094 2.788 10.665 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.908 -0.059 10.676 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.882 1.012 9.255 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.602 -0.611 9.133 1.00 0.00 H new ATOM 625 N ALA A 45 7.280 -0.449 8.617 1.00 0.00 N ATOM 626 CA ALA A 45 7.878 -1.627 8.001 1.00 0.00 C ATOM 627 C ALA A 45 7.816 -2.828 8.939 1.00 0.00 C ATOM 628 O ALA A 45 8.257 -2.756 10.087 1.00 0.00 O ATOM 629 CB ALA A 45 9.318 -1.340 7.602 1.00 0.00 C ATOM 0 H ALA A 45 7.834 -0.039 9.368 1.00 0.00 H new ATOM 0 HA ALA A 45 7.306 -1.869 7.105 1.00 0.00 H new ATOM 0 HB1 ALA A 45 9.752 -2.228 7.143 1.00 0.00 H new ATOM 0 HB2 ALA A 45 9.341 -0.516 6.889 1.00 0.00 H new ATOM 0 HB3 ALA A 45 9.894 -1.070 8.487 1.00 0.00 H new ATOM 635 N LEU A 46 7.267 -3.931 8.443 1.00 0.00 N ATOM 636 CA LEU A 46 7.147 -5.149 9.237 1.00 0.00 C ATOM 637 C LEU A 46 7.502 -6.378 8.407 1.00 0.00 C ATOM 638 O LEU A 46 6.741 -6.789 7.531 1.00 0.00 O ATOM 639 CB LEU A 46 5.725 -5.285 9.787 1.00 0.00 C ATOM 640 CG LEU A 46 5.262 -4.174 10.730 1.00 0.00 C ATOM 641 CD1 LEU A 46 3.746 -4.176 10.852 1.00 0.00 C ATOM 642 CD2 LEU A 46 5.909 -4.330 12.098 1.00 0.00 C ATOM 0 H LEU A 46 6.898 -4.007 7.495 1.00 0.00 H new ATOM 0 HA LEU A 46 7.848 -5.081 10.069 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.034 -5.331 8.945 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.650 -6.236 10.314 1.00 0.00 H new ATOM 0 HG LEU A 46 5.572 -3.216 10.312 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.434 -3.379 11.527 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.302 -4.014 9.870 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.414 -5.136 11.247 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.567 -3.530 12.755 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.631 -5.294 12.524 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.993 -4.278 11.996 1.00 0.00 H new ATOM 654 N ARG A 47 8.662 -6.962 8.690 1.00 0.00 N ATOM 655 CA ARG A 47 9.118 -8.145 7.970 1.00 0.00 C ATOM 656 C ARG A 47 8.035 -9.219 7.948 1.00 0.00 C ATOM 657 O ARG A 47 7.482 -9.579 8.987 1.00 0.00 O ATOM 658 CB ARG A 47 10.390 -8.701 8.613 1.00 0.00 C ATOM 659 CG ARG A 47 11.314 -9.400 7.630 1.00 0.00 C ATOM 660 CD ARG A 47 10.757 -10.751 7.206 1.00 0.00 C ATOM 661 NE ARG A 47 10.557 -11.642 8.346 1.00 0.00 N ATOM 662 CZ ARG A 47 11.520 -12.391 8.871 1.00 0.00 C ATOM 663 NH1 ARG A 47 12.744 -12.356 8.362 1.00 0.00 N ATOM 664 NH2 ARG A 47 11.260 -13.177 9.908 1.00 0.00 N ATOM 0 H ARG A 47 9.303 -6.635 9.413 1.00 0.00 H new ATOM 0 HA ARG A 47 9.336 -7.853 6.943 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.932 -7.885 9.091 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.112 -9.403 9.400 1.00 0.00 H new ATOM 0 HG2 ARG A 47 11.455 -8.771 6.751 1.00 0.00 H new ATOM 0 HG3 ARG A 47 12.295 -9.536 8.085 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.809 -10.606 6.688 1.00 0.00 H new ATOM 0 HD3 ARG A 47 11.440 -11.218 6.496 1.00 0.00 H new ATOM 0 HE ARG A 47 9.627 -11.692 8.762 1.00 0.00 H new ATOM 0 HH11 ARG A 47 12.948 -11.753 7.565 1.00 0.00 H new ATOM 0 HH12 ARG A 47 13.482 -12.932 8.767 1.00 0.00 H new ATOM 0 HH21 ARG A 47 10.320 -13.206 10.303 1.00 0.00 H new ATOM 0 HH22 ARG A 47 12.000 -13.752 10.310 1.00 0.00 H new ATOM 678 N SER A 48 7.736 -9.726 6.756 1.00 0.00 N ATOM 679 CA SER A 48 6.716 -10.756 6.598 1.00 0.00 C ATOM 680 C SER A 48 7.324 -12.149 6.734 1.00 0.00 C ATOM 681 O SER A 48 8.499 -12.356 6.432 1.00 0.00 O ATOM 682 CB SER A 48 6.028 -10.618 5.238 1.00 0.00 C ATOM 683 OG SER A 48 4.684 -11.062 5.299 1.00 0.00 O ATOM 0 H SER A 48 8.185 -9.440 5.886 1.00 0.00 H new ATOM 0 HA SER A 48 5.976 -10.623 7.387 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.056 -9.577 4.917 1.00 0.00 H new ATOM 0 HB3 SER A 48 6.572 -11.197 4.491 1.00 0.00 H new ATOM 0 HG SER A 48 4.086 -10.288 5.360 1.00 0.00 H new ATOM 689 N GLN A 49 6.515 -13.099 7.192 1.00 0.00 N ATOM 690 CA GLN A 49 6.973 -14.472 7.369 1.00 0.00 C ATOM 691 C GLN A 49 7.065 -15.192 6.028 1.00 0.00 C ATOM 692 O GLN A 49 7.962 -16.005 5.810 1.00 0.00 O ATOM 693 CB GLN A 49 6.030 -15.229 8.305 1.00 0.00 C ATOM 694 CG GLN A 49 4.601 -15.312 7.793 1.00 0.00 C ATOM 695 CD GLN A 49 3.841 -16.489 8.372 1.00 0.00 C ATOM 696 OE1 GLN A 49 3.473 -16.488 9.547 1.00 0.00 O ATOM 697 NE2 GLN A 49 3.600 -17.502 7.548 1.00 0.00 N ATOM 0 H GLN A 49 5.540 -12.943 7.447 1.00 0.00 H new ATOM 0 HA GLN A 49 7.968 -14.443 7.813 1.00 0.00 H new ATOM 0 HB2 GLN A 49 6.413 -16.239 8.454 1.00 0.00 H new ATOM 0 HB3 GLN A 49 6.030 -14.741 9.280 1.00 0.00 H new ATOM 0 HG2 GLN A 49 4.077 -14.389 8.040 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.613 -15.391 6.706 1.00 0.00 H new ATOM 0 HE21 GLN A 49 3.923 -17.461 6.581 1.00 0.00 H new ATOM 0 HE22 GLN A 49 3.092 -18.321 7.882 1.00 0.00 H new ATOM 706 N ASN A 50 6.130 -14.889 5.133 1.00 0.00 N ATOM 707 CA ASN A 50 6.105 -15.509 3.813 1.00 0.00 C ATOM 708 C ASN A 50 7.521 -15.772 3.309 1.00 0.00 C ATOM 709 O ASN A 50 7.904 -16.918 3.072 1.00 0.00 O ATOM 710 CB ASN A 50 5.356 -14.616 2.822 1.00 0.00 C ATOM 711 CG ASN A 50 3.861 -14.875 2.826 1.00 0.00 C ATOM 712 OD1 ASN A 50 3.173 -14.586 3.804 1.00 0.00 O ATOM 713 ND2 ASN A 50 3.353 -15.423 1.728 1.00 0.00 N ATOM 0 H ASN A 50 5.380 -14.218 5.298 1.00 0.00 H new ATOM 0 HA ASN A 50 5.585 -16.463 3.896 1.00 0.00 H new ATOM 0 HB2 ASN A 50 5.542 -13.570 3.067 1.00 0.00 H new ATOM 0 HB3 ASN A 50 5.748 -14.782 1.819 1.00 0.00 H new ATOM 0 HD21 ASN A 50 2.354 -15.621 1.672 1.00 0.00 H new ATOM 0 HD22 ASN A 50 3.962 -15.646 0.941 1.00 0.00 H new ATOM 720 N LEU A 51 8.293 -14.703 3.148 1.00 0.00 N ATOM 721 CA LEU A 51 9.667 -14.817 2.672 1.00 0.00 C ATOM 722 C LEU A 51 10.364 -13.460 2.689 1.00 0.00 C ATOM 723 O LEU A 51 9.712 -12.417 2.692 1.00 0.00 O ATOM 724 CB LEU A 51 9.692 -15.398 1.258 1.00 0.00 C ATOM 725 CG LEU A 51 11.026 -15.306 0.517 1.00 0.00 C ATOM 726 CD1 LEU A 51 11.112 -16.371 -0.565 1.00 0.00 C ATOM 727 CD2 LEU A 51 11.208 -13.919 -0.083 1.00 0.00 C ATOM 0 H LEU A 51 7.991 -13.748 3.340 1.00 0.00 H new ATOM 0 HA LEU A 51 10.203 -15.488 3.343 1.00 0.00 H new ATOM 0 HB2 LEU A 51 9.402 -16.447 1.313 1.00 0.00 H new ATOM 0 HB3 LEU A 51 8.934 -14.888 0.664 1.00 0.00 H new ATOM 0 HG LEU A 51 11.829 -15.480 1.233 1.00 0.00 H new ATOM 0 HD11 LEU A 51 12.069 -16.289 -1.081 1.00 0.00 H new ATOM 0 HD12 LEU A 51 11.028 -17.358 -0.111 1.00 0.00 H new ATOM 0 HD13 LEU A 51 10.301 -16.230 -1.280 1.00 0.00 H new ATOM 0 HD21 LEU A 51 12.163 -13.872 -0.607 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.399 -13.717 -0.785 1.00 0.00 H new ATOM 0 HD23 LEU A 51 11.193 -13.174 0.712 1.00 0.00 H new ATOM 739 N GLY A 52 11.693 -13.483 2.697 1.00 0.00 N ATOM 740 CA GLY A 52 12.456 -12.248 2.711 1.00 0.00 C ATOM 741 C GLY A 52 11.712 -11.099 2.060 1.00 0.00 C ATOM 742 O GLY A 52 11.850 -10.860 0.860 1.00 0.00 O ATOM 0 H GLY A 52 12.255 -14.334 2.694 1.00 0.00 H new ATOM 0 HA2 GLY A 52 12.696 -11.984 3.741 1.00 0.00 H new ATOM 0 HA3 GLY A 52 13.403 -12.404 2.193 1.00 0.00 H new ATOM 746 N LYS A 53 10.918 -10.386 2.852 1.00 0.00 N ATOM 747 CA LYS A 53 10.148 -9.256 2.347 1.00 0.00 C ATOM 748 C LYS A 53 9.554 -8.446 3.495 1.00 0.00 C ATOM 749 O LYS A 53 9.436 -8.936 4.618 1.00 0.00 O ATOM 750 CB LYS A 53 9.031 -9.746 1.423 1.00 0.00 C ATOM 751 CG LYS A 53 7.806 -10.253 2.165 1.00 0.00 C ATOM 752 CD LYS A 53 6.807 -10.897 1.218 1.00 0.00 C ATOM 753 CE LYS A 53 6.269 -9.894 0.210 1.00 0.00 C ATOM 754 NZ LYS A 53 5.454 -8.833 0.863 1.00 0.00 N ATOM 0 H LYS A 53 10.791 -10.571 3.847 1.00 0.00 H new ATOM 0 HA LYS A 53 10.822 -8.612 1.782 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.734 -8.931 0.762 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.418 -10.544 0.790 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.111 -10.977 2.921 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.329 -9.425 2.690 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.284 -11.724 0.691 1.00 0.00 H new ATOM 0 HD3 LYS A 53 5.981 -11.318 1.790 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.101 -9.435 -0.325 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.662 -10.414 -0.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.503 -8.818 0.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.380 -9.030 1.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.909 -7.909 0.721 1.00 0.00 H new ATOM 768 N VAL A 54 9.180 -7.203 3.205 1.00 0.00 N ATOM 769 CA VAL A 54 8.596 -6.326 4.213 1.00 0.00 C ATOM 770 C VAL A 54 7.220 -5.832 3.780 1.00 0.00 C ATOM 771 O VAL A 54 6.976 -5.606 2.595 1.00 0.00 O ATOM 772 CB VAL A 54 9.501 -5.112 4.493 1.00 0.00 C ATOM 773 CG1 VAL A 54 9.025 -4.365 5.729 1.00 0.00 C ATOM 774 CG2 VAL A 54 10.949 -5.552 4.650 1.00 0.00 C ATOM 0 H VAL A 54 9.271 -6.781 2.281 1.00 0.00 H new ATOM 0 HA VAL A 54 8.497 -6.914 5.126 1.00 0.00 H new ATOM 0 HB VAL A 54 9.442 -4.433 3.643 1.00 0.00 H new ATOM 0 HG11 VAL A 54 9.677 -3.510 5.911 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.004 -4.016 5.573 1.00 0.00 H new ATOM 0 HG13 VAL A 54 9.052 -5.032 6.590 1.00 0.00 H new ATOM 0 HG21 VAL A 54 11.574 -4.681 4.847 1.00 0.00 H new ATOM 0 HG22 VAL A 54 11.028 -6.252 5.482 1.00 0.00 H new ATOM 0 HG23 VAL A 54 11.283 -6.038 3.733 1.00 0.00 H new ATOM 784 N ASP A 55 6.326 -5.666 4.748 1.00 0.00 N ATOM 785 CA ASP A 55 4.974 -5.197 4.468 1.00 0.00 C ATOM 786 C ASP A 55 4.782 -3.766 4.962 1.00 0.00 C ATOM 787 O ASP A 55 4.785 -3.510 6.166 1.00 0.00 O ATOM 788 CB ASP A 55 3.945 -6.118 5.124 1.00 0.00 C ATOM 789 CG ASP A 55 4.071 -7.554 4.654 1.00 0.00 C ATOM 790 OD1 ASP A 55 4.503 -7.766 3.501 1.00 0.00 O ATOM 791 OD2 ASP A 55 3.738 -8.466 5.439 1.00 0.00 O ATOM 0 H ASP A 55 6.513 -5.849 5.734 1.00 0.00 H new ATOM 0 HA ASP A 55 4.827 -5.213 3.388 1.00 0.00 H new ATOM 0 HB2 ASP A 55 4.066 -6.081 6.207 1.00 0.00 H new ATOM 0 HB3 ASP A 55 2.942 -5.753 4.903 1.00 0.00 H new ATOM 796 N ILE A 56 4.618 -2.839 4.024 1.00 0.00 N ATOM 797 CA ILE A 56 4.425 -1.435 4.365 1.00 0.00 C ATOM 798 C ILE A 56 2.954 -1.130 4.627 1.00 0.00 C ATOM 799 O ILE A 56 2.099 -1.360 3.771 1.00 0.00 O ATOM 800 CB ILE A 56 4.939 -0.509 3.247 1.00 0.00 C ATOM 801 CG1 ILE A 56 6.318 -0.967 2.769 1.00 0.00 C ATOM 802 CG2 ILE A 56 4.992 0.931 3.735 1.00 0.00 C ATOM 803 CD1 ILE A 56 7.378 -0.918 3.848 1.00 0.00 C ATOM 0 H ILE A 56 4.615 -3.035 3.023 1.00 0.00 H new ATOM 0 HA ILE A 56 4.999 -1.249 5.273 1.00 0.00 H new ATOM 0 HB ILE A 56 4.248 -0.562 2.405 1.00 0.00 H new ATOM 0 HG12 ILE A 56 6.243 -1.987 2.391 1.00 0.00 H new ATOM 0 HG13 ILE A 56 6.631 -0.340 1.934 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.357 1.573 2.934 1.00 0.00 H new ATOM 0 HG22 ILE A 56 3.993 1.252 4.031 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.664 1.001 4.591 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.330 -1.256 3.439 1.00 0.00 H new ATOM 0 HD12 ILE A 56 7.482 0.105 4.210 1.00 0.00 H new ATOM 0 HD13 ILE A 56 7.087 -1.567 4.674 1.00 0.00 H new ATOM 815 N PHE A 57 2.666 -0.608 5.814 1.00 0.00 N ATOM 816 CA PHE A 57 1.297 -0.270 6.189 1.00 0.00 C ATOM 817 C PHE A 57 1.143 1.236 6.385 1.00 0.00 C ATOM 818 O PHE A 57 2.028 1.896 6.930 1.00 0.00 O ATOM 819 CB PHE A 57 0.901 -1.005 7.471 1.00 0.00 C ATOM 820 CG PHE A 57 0.958 -2.501 7.347 1.00 0.00 C ATOM 821 CD1 PHE A 57 -0.151 -3.217 6.926 1.00 0.00 C ATOM 822 CD2 PHE A 57 2.121 -3.190 7.650 1.00 0.00 C ATOM 823 CE1 PHE A 57 -0.101 -4.594 6.811 1.00 0.00 C ATOM 824 CE2 PHE A 57 2.177 -4.567 7.536 1.00 0.00 C ATOM 825 CZ PHE A 57 1.065 -5.269 7.116 1.00 0.00 C ATOM 0 H PHE A 57 3.362 -0.410 6.533 1.00 0.00 H new ATOM 0 HA PHE A 57 0.637 -0.583 5.380 1.00 0.00 H new ATOM 0 HB2 PHE A 57 1.561 -0.690 8.279 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.110 -0.710 7.752 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -1.065 -2.694 6.685 1.00 0.00 H new ATOM 0 HD2 PHE A 57 2.994 -2.646 7.979 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -0.973 -5.141 6.483 1.00 0.00 H new ATOM 0 HE2 PHE A 57 3.090 -5.093 7.775 1.00 0.00 H new ATOM 0 HZ PHE A 57 1.107 -6.344 7.026 1.00 0.00 H new ATOM 835 N VAL A 58 0.013 1.772 5.935 1.00 0.00 N ATOM 836 CA VAL A 58 -0.258 3.199 6.060 1.00 0.00 C ATOM 837 C VAL A 58 -0.585 3.572 7.502 1.00 0.00 C ATOM 838 O VAL A 58 -1.635 3.204 8.028 1.00 0.00 O ATOM 839 CB VAL A 58 -1.426 3.630 5.153 1.00 0.00 C ATOM 840 CG1 VAL A 58 -1.711 5.115 5.318 1.00 0.00 C ATOM 841 CG2 VAL A 58 -1.123 3.295 3.700 1.00 0.00 C ATOM 0 H VAL A 58 -0.729 1.240 5.481 1.00 0.00 H new ATOM 0 HA VAL A 58 0.647 3.721 5.748 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.318 3.078 5.451 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.539 5.401 4.669 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -1.974 5.322 6.355 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.824 5.688 5.048 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -1.959 3.606 3.073 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.220 3.818 3.387 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -0.973 2.220 3.598 1.00 0.00 H new ATOM 851 N LYS A 59 0.323 4.306 8.137 1.00 0.00 N ATOM 852 CA LYS A 59 0.132 4.732 9.519 1.00 0.00 C ATOM 853 C LYS A 59 0.206 6.251 9.635 1.00 0.00 C ATOM 854 O LYS A 59 0.881 6.911 8.845 1.00 0.00 O ATOM 855 CB LYS A 59 1.186 4.089 10.422 1.00 0.00 C ATOM 856 CG LYS A 59 1.243 2.575 10.309 1.00 0.00 C ATOM 857 CD LYS A 59 0.306 1.907 11.302 1.00 0.00 C ATOM 858 CE LYS A 59 0.691 2.231 12.737 1.00 0.00 C ATOM 859 NZ LYS A 59 0.297 1.144 13.676 1.00 0.00 N ATOM 0 H LYS A 59 1.198 4.618 7.717 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.858 4.409 9.839 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.164 4.500 10.174 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.979 4.360 11.457 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.976 2.274 9.296 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.263 2.234 10.484 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.717 2.235 11.116 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.327 0.827 11.154 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.768 2.390 12.797 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.214 3.163 13.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.577 1.403 14.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.733 1.009 13.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.772 0.260 13.403 1.00 0.00 H new ATOM 873 N ASP A 60 -0.491 6.798 10.624 1.00 0.00 N ATOM 874 CA ASP A 60 -0.503 8.240 10.845 1.00 0.00 C ATOM 875 C ASP A 60 -1.253 8.955 9.727 1.00 0.00 C ATOM 876 O ASP A 60 -0.735 9.890 9.116 1.00 0.00 O ATOM 877 CB ASP A 60 0.928 8.774 10.940 1.00 0.00 C ATOM 878 CG ASP A 60 1.020 10.037 11.773 1.00 0.00 C ATOM 879 OD1 ASP A 60 0.695 11.121 11.246 1.00 0.00 O ATOM 880 OD2 ASP A 60 1.419 9.941 12.953 1.00 0.00 O ATOM 0 H ASP A 60 -1.055 6.265 11.286 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.019 8.435 11.785 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.570 8.008 11.374 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.305 8.975 9.937 1.00 0.00 H new ATOM 885 N VAL A 61 -2.477 8.509 9.462 1.00 0.00 N ATOM 886 CA VAL A 61 -3.300 9.106 8.417 1.00 0.00 C ATOM 887 C VAL A 61 -3.921 10.417 8.888 1.00 0.00 C ATOM 888 O VAL A 61 -5.015 10.428 9.452 1.00 0.00 O ATOM 889 CB VAL A 61 -4.422 8.150 7.971 1.00 0.00 C ATOM 890 CG1 VAL A 61 -5.264 8.789 6.877 1.00 0.00 C ATOM 891 CG2 VAL A 61 -3.838 6.826 7.502 1.00 0.00 C ATOM 0 H VAL A 61 -2.921 7.736 9.957 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.643 9.302 7.570 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.069 7.953 8.825 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.052 8.099 6.574 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.712 9.709 7.253 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.632 9.018 6.019 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.645 6.162 7.191 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.167 7.002 6.661 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.283 6.364 8.318 1.00 0.00 H new ATOM 901 N GLN A 62 -3.215 11.518 8.652 1.00 0.00 N ATOM 902 CA GLN A 62 -3.698 12.834 9.053 1.00 0.00 C ATOM 903 C GLN A 62 -4.957 13.211 8.279 1.00 0.00 C ATOM 904 O GLN A 62 -4.975 13.231 7.048 1.00 0.00 O ATOM 905 CB GLN A 62 -2.612 13.888 8.829 1.00 0.00 C ATOM 906 CG GLN A 62 -1.353 13.649 9.647 1.00 0.00 C ATOM 907 CD GLN A 62 -0.559 14.919 9.882 1.00 0.00 C ATOM 908 OE1 GLN A 62 0.513 15.109 9.307 1.00 0.00 O ATOM 909 NE2 GLN A 62 -1.083 15.796 10.730 1.00 0.00 N ATOM 0 H GLN A 62 -2.308 11.525 8.186 1.00 0.00 H new ATOM 0 HA GLN A 62 -3.944 12.796 10.114 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -2.350 13.908 7.771 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -3.015 14.870 9.076 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -1.626 13.213 10.608 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -0.724 12.922 9.134 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -1.974 15.597 11.184 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -0.594 16.669 10.928 1.00 0.00 H new ATOM 918 N PRO A 63 -6.035 13.517 9.015 1.00 0.00 N ATOM 919 CA PRO A 63 -7.319 13.899 8.419 1.00 0.00 C ATOM 920 C PRO A 63 -7.263 15.270 7.753 1.00 0.00 C ATOM 921 O PRO A 63 -8.203 15.679 7.074 1.00 0.00 O ATOM 922 CB PRO A 63 -8.273 13.924 9.616 1.00 0.00 C ATOM 923 CG PRO A 63 -7.397 14.182 10.793 1.00 0.00 C ATOM 924 CD PRO A 63 -6.085 13.514 10.487 1.00 0.00 C ATOM 0 HA PRO A 63 -7.623 13.212 7.630 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -9.027 14.703 9.505 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -8.805 12.978 9.718 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -7.262 15.252 10.952 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -7.838 13.777 11.704 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.246 14.060 10.919 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -6.047 12.501 10.888 1.00 0.00 H new ATOM 932 N GLY A 64 -6.154 15.975 7.952 1.00 0.00 N ATOM 933 CA GLY A 64 -5.996 17.292 7.364 1.00 0.00 C ATOM 934 C GLY A 64 -4.933 17.322 6.284 1.00 0.00 C ATOM 935 O GLY A 64 -4.143 18.263 6.206 1.00 0.00 O ATOM 0 H GLY A 64 -5.362 15.657 8.510 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -6.948 17.614 6.942 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -5.736 18.006 8.145 1.00 0.00 H new ATOM 939 N SER A 65 -4.911 16.288 5.449 1.00 0.00 N ATOM 940 CA SER A 65 -3.933 16.197 4.371 1.00 0.00 C ATOM 941 C SER A 65 -4.558 15.587 3.120 1.00 0.00 C ATOM 942 O SER A 65 -5.707 15.145 3.139 1.00 0.00 O ATOM 943 CB SER A 65 -2.731 15.360 4.815 1.00 0.00 C ATOM 944 OG SER A 65 -1.899 16.091 5.698 1.00 0.00 O ATOM 0 H SER A 65 -5.559 15.502 5.498 1.00 0.00 H new ATOM 0 HA SER A 65 -3.597 17.206 4.132 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.078 14.451 5.306 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.157 15.051 3.942 1.00 0.00 H new ATOM 0 HG SER A 65 -2.324 16.947 5.914 1.00 0.00 H new ATOM 950 N VAL A 66 -3.793 15.566 2.034 1.00 0.00 N ATOM 951 CA VAL A 66 -4.269 15.010 0.773 1.00 0.00 C ATOM 952 C VAL A 66 -4.720 13.564 0.946 1.00 0.00 C ATOM 953 O VAL A 66 -5.797 13.180 0.492 1.00 0.00 O ATOM 954 CB VAL A 66 -3.181 15.071 -0.315 1.00 0.00 C ATOM 955 CG1 VAL A 66 -1.963 14.261 0.103 1.00 0.00 C ATOM 956 CG2 VAL A 66 -3.729 14.576 -1.645 1.00 0.00 C ATOM 0 H VAL A 66 -2.840 15.928 2.002 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.118 15.618 0.460 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.873 16.109 -0.439 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.204 14.315 -0.678 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.558 14.665 1.031 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.252 13.221 0.256 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.947 14.626 -2.402 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.066 13.545 -1.539 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.568 15.202 -1.948 1.00 0.00 H new ATOM 966 N ALA A 67 -3.887 12.765 1.606 1.00 0.00 N ATOM 967 CA ALA A 67 -4.201 11.362 1.841 1.00 0.00 C ATOM 968 C ALA A 67 -5.628 11.196 2.350 1.00 0.00 C ATOM 969 O ALA A 67 -6.255 10.157 2.142 1.00 0.00 O ATOM 970 CB ALA A 67 -3.212 10.759 2.828 1.00 0.00 C ATOM 0 H ALA A 67 -2.990 13.066 1.987 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.119 10.833 0.892 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.458 9.710 2.995 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.203 10.835 2.424 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.266 11.299 3.773 1.00 0.00 H new ATOM 976 N ASP A 68 -6.136 12.225 3.019 1.00 0.00 N ATOM 977 CA ASP A 68 -7.491 12.194 3.558 1.00 0.00 C ATOM 978 C ASP A 68 -8.510 12.581 2.490 1.00 0.00 C ATOM 979 O ASP A 68 -9.416 11.810 2.175 1.00 0.00 O ATOM 980 CB ASP A 68 -7.607 13.135 4.757 1.00 0.00 C ATOM 981 CG ASP A 68 -9.041 13.545 5.035 1.00 0.00 C ATOM 982 OD1 ASP A 68 -9.663 14.165 4.147 1.00 0.00 O ATOM 983 OD2 ASP A 68 -9.540 13.246 6.140 1.00 0.00 O ATOM 0 H ASP A 68 -5.630 13.092 3.201 1.00 0.00 H new ATOM 0 HA ASP A 68 -7.703 11.176 3.884 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -7.194 12.647 5.640 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -7.006 14.026 4.575 1.00 0.00 H new ATOM 988 N ARG A 69 -8.354 13.780 1.938 1.00 0.00 N ATOM 989 CA ARG A 69 -9.262 14.270 0.908 1.00 0.00 C ATOM 990 C ARG A 69 -9.316 13.305 -0.273 1.00 0.00 C ATOM 991 O ARG A 69 -10.299 13.268 -1.013 1.00 0.00 O ATOM 992 CB ARG A 69 -8.824 15.655 0.429 1.00 0.00 C ATOM 993 CG ARG A 69 -7.740 15.617 -0.636 1.00 0.00 C ATOM 994 CD ARG A 69 -7.156 16.998 -0.886 1.00 0.00 C ATOM 995 NE ARG A 69 -8.008 17.804 -1.756 1.00 0.00 N ATOM 996 CZ ARG A 69 -9.037 18.521 -1.317 1.00 0.00 C ATOM 997 NH1 ARG A 69 -9.338 18.532 -0.026 1.00 0.00 N ATOM 998 NH2 ARG A 69 -9.766 19.229 -2.170 1.00 0.00 N ATOM 0 H ARG A 69 -7.608 14.429 2.187 1.00 0.00 H new ATOM 0 HA ARG A 69 -10.259 14.342 1.342 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -9.691 16.184 0.034 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -8.463 16.228 1.283 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -6.947 14.936 -0.326 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -8.154 15.222 -1.564 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -7.021 17.512 0.066 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -6.169 16.898 -1.337 1.00 0.00 H new ATOM 0 HE ARG A 69 -7.802 17.817 -2.755 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -8.779 17.989 0.633 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -10.128 19.083 0.309 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -9.537 19.223 -3.164 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -10.556 19.779 -1.832 1.00 0.00 H new ATOM 1012 N ASP A 70 -8.253 12.527 -0.443 1.00 0.00 N ATOM 1013 CA ASP A 70 -8.179 11.561 -1.534 1.00 0.00 C ATOM 1014 C ASP A 70 -9.473 10.761 -1.640 1.00 0.00 C ATOM 1015 O ASP A 70 -10.356 10.877 -0.790 1.00 0.00 O ATOM 1016 CB ASP A 70 -6.995 10.615 -1.326 1.00 0.00 C ATOM 1017 CG ASP A 70 -7.365 9.397 -0.503 1.00 0.00 C ATOM 1018 OD1 ASP A 70 -8.179 9.538 0.434 1.00 0.00 O ATOM 1019 OD2 ASP A 70 -6.841 8.302 -0.796 1.00 0.00 O ATOM 0 H ASP A 70 -7.431 12.546 0.160 1.00 0.00 H new ATOM 0 HA ASP A 70 -8.036 12.111 -2.464 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -6.616 10.293 -2.296 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -6.187 11.153 -0.831 1.00 0.00 H new ATOM 1024 N GLN A 71 -9.578 9.951 -2.688 1.00 0.00 N ATOM 1025 CA GLN A 71 -10.765 9.133 -2.906 1.00 0.00 C ATOM 1026 C GLN A 71 -11.082 8.295 -1.672 1.00 0.00 C ATOM 1027 O GLN A 71 -12.016 8.595 -0.928 1.00 0.00 O ATOM 1028 CB GLN A 71 -10.568 8.223 -4.119 1.00 0.00 C ATOM 1029 CG GLN A 71 -11.806 7.420 -4.485 1.00 0.00 C ATOM 1030 CD GLN A 71 -11.480 6.183 -5.298 1.00 0.00 C ATOM 1031 OE1 GLN A 71 -10.316 5.905 -5.587 1.00 0.00 O ATOM 1032 NE2 GLN A 71 -12.510 5.432 -5.673 1.00 0.00 N ATOM 0 H GLN A 71 -8.855 9.844 -3.400 1.00 0.00 H new ATOM 0 HA GLN A 71 -11.606 9.800 -3.095 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -10.273 8.831 -4.975 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -9.746 7.536 -3.918 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -12.325 7.124 -3.573 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -12.490 8.052 -5.051 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -13.459 5.700 -5.411 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -12.352 4.587 -6.223 1.00 0.00 H new ATOM 1041 N ARG A 72 -10.298 7.242 -1.461 1.00 0.00 N ATOM 1042 CA ARG A 72 -10.496 6.359 -0.318 1.00 0.00 C ATOM 1043 C ARG A 72 -9.163 5.811 0.183 1.00 0.00 C ATOM 1044 O ARG A 72 -8.343 5.331 -0.601 1.00 0.00 O ATOM 1045 CB ARG A 72 -11.426 5.203 -0.694 1.00 0.00 C ATOM 1046 CG ARG A 72 -11.118 3.910 0.041 1.00 0.00 C ATOM 1047 CD ARG A 72 -11.414 4.030 1.528 1.00 0.00 C ATOM 1048 NE ARG A 72 -12.809 3.726 1.834 1.00 0.00 N ATOM 1049 CZ ARG A 72 -13.779 4.634 1.821 1.00 0.00 C ATOM 1050 NH1 ARG A 72 -13.507 5.895 1.518 1.00 0.00 N ATOM 1051 NH2 ARG A 72 -15.024 4.280 2.111 1.00 0.00 N ATOM 0 H ARG A 72 -9.520 6.980 -2.067 1.00 0.00 H new ATOM 0 HA ARG A 72 -10.955 6.940 0.482 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -12.456 5.493 -0.485 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -11.356 5.026 -1.767 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -11.709 3.099 -0.384 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -10.069 3.650 -0.102 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -10.765 3.352 2.083 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -11.181 5.041 1.864 1.00 0.00 H new ATOM 0 HE ARG A 72 -13.052 2.764 2.071 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -12.551 6.171 1.294 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -14.254 6.590 1.509 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -15.237 3.310 2.344 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -15.768 4.978 2.101 1.00 0.00 H new ATOM 1065 N LEU A 73 -8.953 5.887 1.492 1.00 0.00 N ATOM 1066 CA LEU A 73 -7.720 5.399 2.099 1.00 0.00 C ATOM 1067 C LEU A 73 -7.896 5.191 3.600 1.00 0.00 C ATOM 1068 O LEU A 73 -8.271 6.112 4.326 1.00 0.00 O ATOM 1069 CB LEU A 73 -6.577 6.382 1.840 1.00 0.00 C ATOM 1070 CG LEU A 73 -5.169 5.787 1.826 1.00 0.00 C ATOM 1071 CD1 LEU A 73 -4.178 6.772 1.226 1.00 0.00 C ATOM 1072 CD2 LEU A 73 -4.744 5.390 3.232 1.00 0.00 C ATOM 0 H LEU A 73 -9.621 6.282 2.154 1.00 0.00 H new ATOM 0 HA LEU A 73 -7.476 4.439 1.644 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -6.754 6.868 0.881 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -6.613 7.159 2.603 1.00 0.00 H new ATOM 0 HG LEU A 73 -5.180 4.892 1.205 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.181 6.330 1.225 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.472 7.007 0.203 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.169 7.686 1.820 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.739 4.968 3.203 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -4.750 6.269 3.876 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.438 4.647 3.626 1.00 0.00 H new ATOM 1084 N LYS A 74 -7.621 3.975 4.059 1.00 0.00 N ATOM 1085 CA LYS A 74 -7.745 3.645 5.474 1.00 0.00 C ATOM 1086 C LYS A 74 -6.381 3.336 6.083 1.00 0.00 C ATOM 1087 O LYS A 74 -5.446 2.962 5.375 1.00 0.00 O ATOM 1088 CB LYS A 74 -8.680 2.448 5.660 1.00 0.00 C ATOM 1089 CG LYS A 74 -10.071 2.669 5.092 1.00 0.00 C ATOM 1090 CD LYS A 74 -10.952 3.442 6.059 1.00 0.00 C ATOM 1091 CE LYS A 74 -12.423 3.105 5.864 1.00 0.00 C ATOM 1092 NZ LYS A 74 -13.248 3.530 7.029 1.00 0.00 N ATOM 0 H LYS A 74 -7.311 3.201 3.471 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.165 4.510 5.987 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -8.237 1.574 5.183 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.762 2.224 6.723 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -9.998 3.213 4.150 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.531 1.706 4.869 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -10.658 3.213 7.083 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -10.801 4.512 5.915 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -12.791 3.593 4.961 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -12.533 2.031 5.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -14.244 3.283 6.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -12.914 3.046 7.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -13.164 4.559 7.157 1.00 0.00 H new ATOM 1106 N GLU A 75 -6.275 3.495 7.398 1.00 0.00 N ATOM 1107 CA GLU A 75 -5.024 3.233 8.101 1.00 0.00 C ATOM 1108 C GLU A 75 -4.659 1.753 8.026 1.00 0.00 C ATOM 1109 O GLU A 75 -5.446 0.931 7.561 1.00 0.00 O ATOM 1110 CB GLU A 75 -5.134 3.669 9.563 1.00 0.00 C ATOM 1111 CG GLU A 75 -3.789 3.866 10.242 1.00 0.00 C ATOM 1112 CD GLU A 75 -3.875 4.768 11.458 1.00 0.00 C ATOM 1113 OE1 GLU A 75 -4.583 5.794 11.387 1.00 0.00 O ATOM 1114 OE2 GLU A 75 -3.234 4.447 12.481 1.00 0.00 O ATOM 0 H GLU A 75 -7.040 3.804 7.998 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.236 3.809 7.616 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.697 4.601 9.614 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.704 2.921 10.115 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.392 2.896 10.541 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.085 4.292 9.528 1.00 0.00 H new ATOM 1121 N ASN A 76 -3.457 1.423 8.487 1.00 0.00 N ATOM 1122 CA ASN A 76 -2.985 0.043 8.472 1.00 0.00 C ATOM 1123 C ASN A 76 -3.229 -0.600 7.110 1.00 0.00 C ATOM 1124 O ASN A 76 -3.615 -1.766 7.023 1.00 0.00 O ATOM 1125 CB ASN A 76 -3.684 -0.769 9.564 1.00 0.00 C ATOM 1126 CG ASN A 76 -5.170 -0.928 9.305 1.00 0.00 C ATOM 1127 OD1 ASN A 76 -5.975 -0.094 9.951 1.00 0.00 O flip ATOM 1128 ND2 ASN A 76 -5.587 -1.792 8.533 1.00 0.00 N flip ATOM 0 H ASN A 76 -2.792 2.092 8.875 1.00 0.00 H new ATOM 0 HA ASN A 76 -1.912 0.050 8.664 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -3.222 -1.754 9.632 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -3.536 -0.280 10.527 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -4.930 -2.411 8.058 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -6.589 -1.888 8.368 1.00 0.00 H new ATOM 1135 N ASP A 77 -3.000 0.167 6.050 1.00 0.00 N ATOM 1136 CA ASP A 77 -3.193 -0.327 4.692 1.00 0.00 C ATOM 1137 C ASP A 77 -1.888 -0.876 4.123 1.00 0.00 C ATOM 1138 O ASP A 77 -0.982 -0.116 3.781 1.00 0.00 O ATOM 1139 CB ASP A 77 -3.727 0.788 3.792 1.00 0.00 C ATOM 1140 CG ASP A 77 -5.242 0.853 3.788 1.00 0.00 C ATOM 1141 OD1 ASP A 77 -5.875 -0.026 4.410 1.00 0.00 O ATOM 1142 OD2 ASP A 77 -5.794 1.783 3.164 1.00 0.00 O ATOM 0 H ASP A 77 -2.680 1.134 6.105 1.00 0.00 H new ATOM 0 HA ASP A 77 -3.922 -1.136 4.726 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -3.326 1.745 4.127 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -3.370 0.632 2.774 1.00 0.00 H new ATOM 1147 N GLN A 78 -1.800 -2.198 4.026 1.00 0.00 N ATOM 1148 CA GLN A 78 -0.605 -2.848 3.501 1.00 0.00 C ATOM 1149 C GLN A 78 -0.389 -2.485 2.035 1.00 0.00 C ATOM 1150 O GLN A 78 -0.942 -3.125 1.140 1.00 0.00 O ATOM 1151 CB GLN A 78 -0.716 -4.366 3.652 1.00 0.00 C ATOM 1152 CG GLN A 78 0.630 -5.068 3.737 1.00 0.00 C ATOM 1153 CD GLN A 78 0.575 -6.497 3.232 1.00 0.00 C ATOM 1154 OE1 GLN A 78 -0.283 -7.280 3.641 1.00 0.00 O ATOM 1155 NE2 GLN A 78 1.493 -6.845 2.338 1.00 0.00 N ATOM 0 H GLN A 78 -2.542 -2.840 4.304 1.00 0.00 H new ATOM 0 HA GLN A 78 0.252 -2.495 4.075 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -1.292 -4.593 4.549 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -1.273 -4.767 2.806 1.00 0.00 H new ATOM 0 HG2 GLN A 78 1.364 -4.509 3.157 1.00 0.00 H new ATOM 0 HG3 GLN A 78 0.973 -5.065 4.772 1.00 0.00 H new ATOM 0 HE21 GLN A 78 2.186 -6.164 2.027 1.00 0.00 H new ATOM 0 HE22 GLN A 78 1.506 -7.793 1.963 1.00 0.00 H new ATOM 1164 N ILE A 79 0.418 -1.457 1.798 1.00 0.00 N ATOM 1165 CA ILE A 79 0.708 -1.010 0.441 1.00 0.00 C ATOM 1166 C ILE A 79 1.467 -2.078 -0.339 1.00 0.00 C ATOM 1167 O ILE A 79 2.656 -2.302 -0.109 1.00 0.00 O ATOM 1168 CB ILE A 79 1.530 0.292 0.440 1.00 0.00 C ATOM 1169 CG1 ILE A 79 0.789 1.389 1.208 1.00 0.00 C ATOM 1170 CG2 ILE A 79 1.816 0.737 -0.986 1.00 0.00 C ATOM 1171 CD1 ILE A 79 1.410 2.760 1.053 1.00 0.00 C ATOM 0 H ILE A 79 0.883 -0.918 2.528 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.252 -0.824 -0.041 1.00 0.00 H new ATOM 0 HB ILE A 79 2.481 0.104 0.939 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.245 1.426 0.865 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.765 1.128 2.266 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.398 1.659 -0.970 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.380 -0.039 -1.503 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.875 0.911 -1.508 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.833 3.487 1.624 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.435 2.739 1.423 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.410 3.043 0.000 1.00 0.00 H new ATOM 1183 N LEU A 80 0.774 -2.733 -1.263 1.00 0.00 N ATOM 1184 CA LEU A 80 1.383 -3.778 -2.079 1.00 0.00 C ATOM 1185 C LEU A 80 2.330 -3.177 -3.113 1.00 0.00 C ATOM 1186 O LEU A 80 3.479 -3.600 -3.236 1.00 0.00 O ATOM 1187 CB LEU A 80 0.301 -4.601 -2.780 1.00 0.00 C ATOM 1188 CG LEU A 80 -0.706 -5.302 -1.867 1.00 0.00 C ATOM 1189 CD1 LEU A 80 -1.659 -6.161 -2.684 1.00 0.00 C ATOM 1190 CD2 LEU A 80 0.016 -6.146 -0.827 1.00 0.00 C ATOM 0 H LEU A 80 -0.210 -2.559 -1.466 1.00 0.00 H new ATOM 0 HA LEU A 80 1.958 -4.430 -1.421 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.247 -3.944 -3.455 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.789 -5.356 -3.397 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.289 -4.541 -1.348 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.368 -6.652 -2.018 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.201 -5.532 -3.391 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.092 -6.915 -3.230 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.716 -6.638 -0.186 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.624 -6.899 -1.328 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.658 -5.506 -0.221 1.00 0.00 H new ATOM 1202 N ALA A 81 1.841 -2.188 -3.853 1.00 0.00 N ATOM 1203 CA ALA A 81 2.645 -1.526 -4.873 1.00 0.00 C ATOM 1204 C ALA A 81 2.520 -0.010 -4.772 1.00 0.00 C ATOM 1205 O ALA A 81 1.512 0.509 -4.292 1.00 0.00 O ATOM 1206 CB ALA A 81 2.235 -2.001 -6.259 1.00 0.00 C ATOM 0 H ALA A 81 0.891 -1.827 -3.765 1.00 0.00 H new ATOM 0 HA ALA A 81 3.689 -1.790 -4.705 1.00 0.00 H new ATOM 0 HB1 ALA A 81 2.844 -1.498 -7.011 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.383 -3.078 -6.333 1.00 0.00 H new ATOM 0 HB3 ALA A 81 1.184 -1.767 -6.428 1.00 0.00 H new ATOM 1212 N ILE A 82 3.550 0.696 -5.228 1.00 0.00 N ATOM 1213 CA ILE A 82 3.554 2.153 -5.189 1.00 0.00 C ATOM 1214 C ILE A 82 3.978 2.737 -6.532 1.00 0.00 C ATOM 1215 O ILE A 82 5.085 2.487 -7.007 1.00 0.00 O ATOM 1216 CB ILE A 82 4.494 2.684 -4.091 1.00 0.00 C ATOM 1217 CG1 ILE A 82 4.032 2.198 -2.715 1.00 0.00 C ATOM 1218 CG2 ILE A 82 4.549 4.204 -4.131 1.00 0.00 C ATOM 1219 CD1 ILE A 82 5.102 2.295 -1.650 1.00 0.00 C ATOM 0 H ILE A 82 4.392 0.282 -5.629 1.00 0.00 H new ATOM 0 HA ILE A 82 2.534 2.466 -4.965 1.00 0.00 H new ATOM 0 HB ILE A 82 5.497 2.299 -4.274 1.00 0.00 H new ATOM 0 HG12 ILE A 82 3.167 2.783 -2.404 1.00 0.00 H new ATOM 0 HG13 ILE A 82 3.704 1.162 -2.796 1.00 0.00 H new ATOM 0 HG21 ILE A 82 5.217 4.565 -3.349 1.00 0.00 H new ATOM 0 HG22 ILE A 82 4.919 4.529 -5.103 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.550 4.609 -3.969 1.00 0.00 H new ATOM 0 HD11 ILE A 82 4.705 1.934 -0.701 1.00 0.00 H new ATOM 0 HD12 ILE A 82 5.959 1.687 -1.939 1.00 0.00 H new ATOM 0 HD13 ILE A 82 5.414 3.334 -1.541 1.00 0.00 H new ATOM 1231 N ASN A 83 3.090 3.518 -7.138 1.00 0.00 N ATOM 1232 CA ASN A 83 3.372 4.140 -8.427 1.00 0.00 C ATOM 1233 C ASN A 83 3.675 3.084 -9.486 1.00 0.00 C ATOM 1234 O ASN A 83 4.620 3.221 -10.263 1.00 0.00 O ATOM 1235 CB ASN A 83 4.552 5.106 -8.303 1.00 0.00 C ATOM 1236 CG ASN A 83 4.180 6.382 -7.572 1.00 0.00 C ATOM 1237 OD1 ASN A 83 4.762 6.711 -6.538 1.00 0.00 O ATOM 1238 ND2 ASN A 83 3.205 7.107 -8.108 1.00 0.00 N ATOM 0 H ASN A 83 2.169 3.735 -6.757 1.00 0.00 H new ATOM 0 HA ASN A 83 2.486 4.695 -8.736 1.00 0.00 H new ATOM 0 HB2 ASN A 83 5.368 4.613 -7.775 1.00 0.00 H new ATOM 0 HB3 ASN A 83 4.921 5.355 -9.298 1.00 0.00 H new ATOM 0 HD21 ASN A 83 2.910 7.975 -7.661 1.00 0.00 H new ATOM 0 HD22 ASN A 83 2.751 6.795 -8.966 1.00 0.00 H new ATOM 1245 N HIS A 84 2.865 2.030 -9.511 1.00 0.00 N ATOM 1246 CA HIS A 84 3.045 0.951 -10.476 1.00 0.00 C ATOM 1247 C HIS A 84 4.333 0.183 -10.197 1.00 0.00 C ATOM 1248 O HIS A 84 5.179 0.026 -11.079 1.00 0.00 O ATOM 1249 CB HIS A 84 3.067 1.509 -11.899 1.00 0.00 C ATOM 1250 CG HIS A 84 2.636 0.519 -12.937 1.00 0.00 C ATOM 1251 ND1 HIS A 84 1.751 0.827 -13.949 1.00 0.00 N ATOM 1252 CD2 HIS A 84 2.975 -0.779 -13.118 1.00 0.00 C ATOM 1253 CE1 HIS A 84 1.563 -0.239 -14.705 1.00 0.00 C ATOM 1254 NE2 HIS A 84 2.295 -1.227 -14.223 1.00 0.00 N ATOM 0 H HIS A 84 2.078 1.900 -8.875 1.00 0.00 H new ATOM 0 HA HIS A 84 2.205 0.264 -10.377 1.00 0.00 H new ATOM 0 HB2 HIS A 84 2.416 2.382 -11.948 1.00 0.00 H new ATOM 0 HB3 HIS A 84 4.076 1.851 -12.131 1.00 0.00 H new ATOM 0 HD2 HIS A 84 3.654 -1.355 -12.507 1.00 0.00 H new ATOM 0 HE1 HIS A 84 0.920 -0.294 -15.571 1.00 0.00 H new ATOM 0 HE2 HIS A 84 2.347 -2.170 -14.609 1.00 0.00 H new ATOM 1263 N THR A 85 4.477 -0.295 -8.965 1.00 0.00 N ATOM 1264 CA THR A 85 5.663 -1.045 -8.569 1.00 0.00 C ATOM 1265 C THR A 85 5.431 -1.790 -7.260 1.00 0.00 C ATOM 1266 O THR A 85 5.302 -1.192 -6.192 1.00 0.00 O ATOM 1267 CB THR A 85 6.885 -0.121 -8.411 1.00 0.00 C ATOM 1268 OG1 THR A 85 7.162 0.542 -9.650 1.00 0.00 O ATOM 1269 CG2 THR A 85 8.107 -0.911 -7.968 1.00 0.00 C ATOM 0 H THR A 85 3.787 -0.176 -8.224 1.00 0.00 H new ATOM 0 HA THR A 85 5.861 -1.765 -9.363 1.00 0.00 H new ATOM 0 HB THR A 85 6.655 0.621 -7.646 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.757 0.040 -10.388 1.00 0.00 H new ATOM 0 HG21 THR A 85 8.957 -0.237 -7.863 1.00 0.00 H new ATOM 0 HG22 THR A 85 7.903 -1.390 -7.010 1.00 0.00 H new ATOM 0 HG23 THR A 85 8.337 -1.673 -8.713 1.00 0.00 H new ATOM 1277 N PRO A 86 5.376 -3.128 -7.342 1.00 0.00 N ATOM 1278 CA PRO A 86 5.160 -3.984 -6.172 1.00 0.00 C ATOM 1279 C PRO A 86 6.360 -3.993 -5.231 1.00 0.00 C ATOM 1280 O PRO A 86 7.508 -3.933 -5.672 1.00 0.00 O ATOM 1281 CB PRO A 86 4.949 -5.372 -6.782 1.00 0.00 C ATOM 1282 CG PRO A 86 5.658 -5.322 -8.091 1.00 0.00 C ATOM 1283 CD PRO A 86 5.521 -3.908 -8.582 1.00 0.00 C ATOM 0 HA PRO A 86 4.324 -3.639 -5.564 1.00 0.00 H new ATOM 0 HB2 PRO A 86 5.357 -6.153 -6.140 1.00 0.00 H new ATOM 0 HB3 PRO A 86 3.889 -5.590 -6.914 1.00 0.00 H new ATOM 0 HG2 PRO A 86 6.707 -5.596 -7.977 1.00 0.00 H new ATOM 0 HG3 PRO A 86 5.220 -6.025 -8.799 1.00 0.00 H new ATOM 0 HD2 PRO A 86 6.395 -3.595 -9.154 1.00 0.00 H new ATOM 0 HD3 PRO A 86 4.655 -3.791 -9.234 1.00 0.00 H new ATOM 1291 N LEU A 87 6.087 -4.069 -3.933 1.00 0.00 N ATOM 1292 CA LEU A 87 7.145 -4.086 -2.928 1.00 0.00 C ATOM 1293 C LEU A 87 7.463 -5.514 -2.496 1.00 0.00 C ATOM 1294 O LEU A 87 7.610 -5.795 -1.307 1.00 0.00 O ATOM 1295 CB LEU A 87 6.736 -3.252 -1.713 1.00 0.00 C ATOM 1296 CG LEU A 87 6.072 -1.908 -2.014 1.00 0.00 C ATOM 1297 CD1 LEU A 87 5.629 -1.231 -0.726 1.00 0.00 C ATOM 1298 CD2 LEU A 87 7.019 -1.008 -2.794 1.00 0.00 C ATOM 0 H LEU A 87 5.142 -4.120 -3.552 1.00 0.00 H new ATOM 0 HA LEU A 87 8.041 -3.653 -3.373 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.052 -3.844 -1.105 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.624 -3.068 -1.108 1.00 0.00 H new ATOM 0 HG LEU A 87 5.189 -2.090 -2.627 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.159 -0.276 -0.960 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.915 -1.870 -0.206 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.496 -1.062 -0.087 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.530 -0.056 -2.999 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.921 -0.833 -2.207 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.286 -1.489 -3.735 1.00 0.00 H new ATOM 1310 N ASP A 88 7.568 -6.411 -3.470 1.00 0.00 N ATOM 1311 CA ASP A 88 7.872 -7.810 -3.191 1.00 0.00 C ATOM 1312 C ASP A 88 9.328 -7.977 -2.769 1.00 0.00 C ATOM 1313 O ASP A 88 10.057 -6.996 -2.621 1.00 0.00 O ATOM 1314 CB ASP A 88 7.582 -8.672 -4.421 1.00 0.00 C ATOM 1315 CG ASP A 88 8.432 -8.282 -5.614 1.00 0.00 C ATOM 1316 OD1 ASP A 88 8.106 -7.268 -6.268 1.00 0.00 O ATOM 1317 OD2 ASP A 88 9.422 -8.989 -5.894 1.00 0.00 O ATOM 0 H ASP A 88 7.447 -6.195 -4.459 1.00 0.00 H new ATOM 0 HA ASP A 88 7.235 -8.137 -2.369 1.00 0.00 H new ATOM 0 HB2 ASP A 88 7.761 -9.719 -4.178 1.00 0.00 H new ATOM 0 HB3 ASP A 88 6.528 -8.582 -4.684 1.00 0.00 H new ATOM 1322 N GLN A 89 9.745 -9.224 -2.577 1.00 0.00 N ATOM 1323 CA GLN A 89 11.114 -9.518 -2.170 1.00 0.00 C ATOM 1324 C GLN A 89 12.105 -8.631 -2.916 1.00 0.00 C ATOM 1325 O GLN A 89 13.202 -8.362 -2.428 1.00 0.00 O ATOM 1326 CB GLN A 89 11.438 -10.991 -2.424 1.00 0.00 C ATOM 1327 CG GLN A 89 11.652 -11.323 -3.892 1.00 0.00 C ATOM 1328 CD GLN A 89 12.558 -12.522 -4.092 1.00 0.00 C ATOM 1329 OE1 GLN A 89 12.866 -13.248 -3.146 1.00 0.00 O ATOM 1330 NE2 GLN A 89 12.991 -12.737 -5.330 1.00 0.00 N ATOM 0 H GLN A 89 9.155 -10.047 -2.697 1.00 0.00 H new ATOM 0 HA GLN A 89 11.202 -9.313 -1.103 1.00 0.00 H new ATOM 0 HB2 GLN A 89 12.335 -11.259 -1.865 1.00 0.00 H new ATOM 0 HB3 GLN A 89 10.625 -11.605 -2.036 1.00 0.00 H new ATOM 0 HG2 GLN A 89 10.688 -11.519 -4.361 1.00 0.00 H new ATOM 0 HG3 GLN A 89 12.083 -10.458 -4.397 1.00 0.00 H new ATOM 0 HE21 GLN A 89 12.711 -12.110 -6.084 1.00 0.00 H new ATOM 0 HE22 GLN A 89 13.603 -13.529 -5.526 1.00 0.00 H new ATOM 1339 N ASN A 90 11.712 -8.180 -4.103 1.00 0.00 N ATOM 1340 CA ASN A 90 12.567 -7.324 -4.917 1.00 0.00 C ATOM 1341 C ASN A 90 12.885 -6.022 -4.188 1.00 0.00 C ATOM 1342 O ASN A 90 14.051 -5.677 -3.994 1.00 0.00 O ATOM 1343 CB ASN A 90 11.893 -7.020 -6.257 1.00 0.00 C ATOM 1344 CG ASN A 90 11.893 -8.217 -7.188 1.00 0.00 C ATOM 1345 OD1 ASN A 90 12.571 -9.213 -6.937 1.00 0.00 O ATOM 1346 ND2 ASN A 90 11.131 -8.123 -8.272 1.00 0.00 N ATOM 0 H ASN A 90 10.807 -8.393 -4.522 1.00 0.00 H new ATOM 0 HA ASN A 90 13.501 -7.855 -5.100 1.00 0.00 H new ATOM 0 HB2 ASN A 90 10.866 -6.701 -6.080 1.00 0.00 H new ATOM 0 HB3 ASN A 90 12.407 -6.188 -6.739 1.00 0.00 H new ATOM 0 HD21 ASN A 90 11.092 -8.896 -8.936 1.00 0.00 H new ATOM 0 HD22 ASN A 90 10.585 -7.278 -8.440 1.00 0.00 H new ATOM 1353 N ILE A 91 11.841 -5.304 -3.788 1.00 0.00 N ATOM 1354 CA ILE A 91 12.009 -4.042 -3.079 1.00 0.00 C ATOM 1355 C ILE A 91 11.767 -4.214 -1.583 1.00 0.00 C ATOM 1356 O ILE A 91 10.823 -4.887 -1.171 1.00 0.00 O ATOM 1357 CB ILE A 91 11.055 -2.961 -3.621 1.00 0.00 C ATOM 1358 CG1 ILE A 91 11.695 -2.231 -4.803 1.00 0.00 C ATOM 1359 CG2 ILE A 91 10.689 -1.977 -2.519 1.00 0.00 C ATOM 1360 CD1 ILE A 91 10.835 -1.120 -5.365 1.00 0.00 C ATOM 0 H ILE A 91 10.870 -5.575 -3.943 1.00 0.00 H new ATOM 0 HA ILE A 91 13.038 -3.723 -3.243 1.00 0.00 H new ATOM 0 HB ILE A 91 10.142 -3.444 -3.968 1.00 0.00 H new ATOM 0 HG12 ILE A 91 12.652 -1.815 -4.488 1.00 0.00 H new ATOM 0 HG13 ILE A 91 11.906 -2.951 -5.593 1.00 0.00 H new ATOM 0 HG21 ILE A 91 10.014 -1.219 -2.917 1.00 0.00 H new ATOM 0 HG22 ILE A 91 10.197 -2.509 -1.705 1.00 0.00 H new ATOM 0 HG23 ILE A 91 11.593 -1.497 -2.145 1.00 0.00 H new ATOM 0 HD11 ILE A 91 11.352 -0.647 -6.200 1.00 0.00 H new ATOM 0 HD12 ILE A 91 9.888 -1.533 -5.712 1.00 0.00 H new ATOM 0 HD13 ILE A 91 10.645 -0.379 -4.589 1.00 0.00 H new ATOM 1372 N SER A 92 12.626 -3.600 -0.776 1.00 0.00 N ATOM 1373 CA SER A 92 12.507 -3.688 0.675 1.00 0.00 C ATOM 1374 C SER A 92 11.586 -2.596 1.211 1.00 0.00 C ATOM 1375 O SER A 92 10.988 -1.840 0.444 1.00 0.00 O ATOM 1376 CB SER A 92 13.886 -3.574 1.329 1.00 0.00 C ATOM 1377 OG SER A 92 14.576 -4.810 1.281 1.00 0.00 O ATOM 0 H SER A 92 13.411 -3.037 -1.102 1.00 0.00 H new ATOM 0 HA SER A 92 12.075 -4.658 0.922 1.00 0.00 H new ATOM 0 HB2 SER A 92 14.471 -2.807 0.821 1.00 0.00 H new ATOM 0 HB3 SER A 92 13.775 -3.256 2.366 1.00 0.00 H new ATOM 0 HG SER A 92 15.455 -4.711 1.703 1.00 0.00 H new ATOM 1383 N HIS A 93 11.476 -2.520 2.534 1.00 0.00 N ATOM 1384 CA HIS A 93 10.628 -1.521 3.174 1.00 0.00 C ATOM 1385 C HIS A 93 11.155 -0.113 2.911 1.00 0.00 C ATOM 1386 O HIS A 93 10.381 0.813 2.667 1.00 0.00 O ATOM 1387 CB HIS A 93 10.551 -1.776 4.680 1.00 0.00 C ATOM 1388 CG HIS A 93 11.607 -1.059 5.464 1.00 0.00 C ATOM 1389 ND1 HIS A 93 11.687 0.231 5.867 1.00 0.00 N flip ATOM 1390 CD2 HIS A 93 12.751 -1.675 5.924 1.00 0.00 C flip ATOM 1391 CE1 HIS A 93 12.866 0.368 6.558 1.00 0.00 C flip ATOM 1392 NE2 HIS A 93 13.489 -0.796 6.578 1.00 0.00 N flip ATOM 0 H HIS A 93 11.963 -3.138 3.183 1.00 0.00 H new ATOM 0 HA HIS A 93 9.628 -1.602 2.748 1.00 0.00 H new ATOM 0 HB2 HIS A 93 9.570 -1.469 5.042 1.00 0.00 H new ATOM 0 HB3 HIS A 93 10.638 -2.847 4.864 1.00 0.00 H new ATOM 0 HD2 HIS A 93 13.004 -2.714 5.773 1.00 0.00 H new ATOM 0 HE1 HIS A 93 13.225 1.280 7.011 1.00 0.00 H new ATOM 0 HE2 HIS A 93 14.387 -0.984 7.023 1.00 0.00 H new ATOM 1401 N GLN A 94 12.474 0.040 2.965 1.00 0.00 N ATOM 1402 CA GLN A 94 13.102 1.336 2.734 1.00 0.00 C ATOM 1403 C GLN A 94 12.711 1.895 1.370 1.00 0.00 C ATOM 1404 O GLN A 94 12.033 2.918 1.279 1.00 0.00 O ATOM 1405 CB GLN A 94 14.624 1.213 2.831 1.00 0.00 C ATOM 1406 CG GLN A 94 15.157 1.366 4.247 1.00 0.00 C ATOM 1407 CD GLN A 94 15.486 2.805 4.594 1.00 0.00 C ATOM 1408 OE1 GLN A 94 14.955 3.738 3.990 1.00 0.00 O ATOM 1409 NE2 GLN A 94 16.364 2.992 5.571 1.00 0.00 N ATOM 0 H GLN A 94 13.128 -0.716 3.166 1.00 0.00 H new ATOM 0 HA GLN A 94 12.750 2.024 3.503 1.00 0.00 H new ATOM 0 HB2 GLN A 94 14.928 0.242 2.440 1.00 0.00 H new ATOM 0 HB3 GLN A 94 15.083 1.970 2.195 1.00 0.00 H new ATOM 0 HG2 GLN A 94 14.418 0.986 4.952 1.00 0.00 H new ATOM 0 HG3 GLN A 94 16.052 0.755 4.362 1.00 0.00 H new ATOM 0 HE21 GLN A 94 16.779 2.189 6.044 1.00 0.00 H new ATOM 0 HE22 GLN A 94 16.624 3.938 5.849 1.00 0.00 H new ATOM 1418 N GLN A 95 13.145 1.217 0.312 1.00 0.00 N ATOM 1419 CA GLN A 95 12.841 1.647 -1.048 1.00 0.00 C ATOM 1420 C GLN A 95 11.392 2.111 -1.161 1.00 0.00 C ATOM 1421 O GLN A 95 11.107 3.148 -1.760 1.00 0.00 O ATOM 1422 CB GLN A 95 13.103 0.510 -2.036 1.00 0.00 C ATOM 1423 CG GLN A 95 14.520 0.496 -2.586 1.00 0.00 C ATOM 1424 CD GLN A 95 14.674 1.360 -3.822 1.00 0.00 C ATOM 1425 OE1 GLN A 95 13.803 2.169 -4.142 1.00 0.00 O ATOM 1426 NE2 GLN A 95 15.788 1.193 -4.526 1.00 0.00 N ATOM 0 H GLN A 95 13.708 0.368 0.370 1.00 0.00 H new ATOM 0 HA GLN A 95 13.493 2.487 -1.291 1.00 0.00 H new ATOM 0 HB2 GLN A 95 12.904 -0.442 -1.543 1.00 0.00 H new ATOM 0 HB3 GLN A 95 12.401 0.592 -2.866 1.00 0.00 H new ATOM 0 HG2 GLN A 95 15.208 0.844 -1.816 1.00 0.00 H new ATOM 0 HG3 GLN A 95 14.802 -0.529 -2.826 1.00 0.00 H new ATOM 0 HE21 GLN A 95 16.484 0.511 -4.225 1.00 0.00 H new ATOM 0 HE22 GLN A 95 15.947 1.747 -5.368 1.00 0.00 H new ATOM 1435 N ALA A 96 10.481 1.337 -0.581 1.00 0.00 N ATOM 1436 CA ALA A 96 9.062 1.669 -0.616 1.00 0.00 C ATOM 1437 C ALA A 96 8.820 3.092 -0.124 1.00 0.00 C ATOM 1438 O ALA A 96 8.071 3.852 -0.739 1.00 0.00 O ATOM 1439 CB ALA A 96 8.267 0.677 0.220 1.00 0.00 C ATOM 0 H ALA A 96 10.700 0.475 -0.081 1.00 0.00 H new ATOM 0 HA ALA A 96 8.725 1.607 -1.651 1.00 0.00 H new ATOM 0 HB1 ALA A 96 7.209 0.937 0.185 1.00 0.00 H new ATOM 0 HB2 ALA A 96 8.407 -0.328 -0.178 1.00 0.00 H new ATOM 0 HB3 ALA A 96 8.615 0.710 1.253 1.00 0.00 H new ATOM 1445 N ILE A 97 9.457 3.446 0.987 1.00 0.00 N ATOM 1446 CA ILE A 97 9.310 4.778 1.560 1.00 0.00 C ATOM 1447 C ILE A 97 9.788 5.851 0.587 1.00 0.00 C ATOM 1448 O ILE A 97 9.159 6.899 0.446 1.00 0.00 O ATOM 1449 CB ILE A 97 10.093 4.913 2.880 1.00 0.00 C ATOM 1450 CG1 ILE A 97 9.719 3.779 3.838 1.00 0.00 C ATOM 1451 CG2 ILE A 97 9.822 6.266 3.521 1.00 0.00 C ATOM 1452 CD1 ILE A 97 10.574 3.736 5.085 1.00 0.00 C ATOM 0 H ILE A 97 10.080 2.829 1.508 1.00 0.00 H new ATOM 0 HA ILE A 97 8.248 4.919 1.761 1.00 0.00 H new ATOM 0 HB ILE A 97 11.159 4.843 2.662 1.00 0.00 H new ATOM 0 HG12 ILE A 97 8.674 3.888 4.127 1.00 0.00 H new ATOM 0 HG13 ILE A 97 9.807 2.827 3.314 1.00 0.00 H new ATOM 0 HG21 ILE A 97 10.382 6.346 4.453 1.00 0.00 H new ATOM 0 HG22 ILE A 97 10.133 7.059 2.841 1.00 0.00 H new ATOM 0 HG23 ILE A 97 8.756 6.363 3.729 1.00 0.00 H new ATOM 0 HD11 ILE A 97 10.253 2.908 5.718 1.00 0.00 H new ATOM 0 HD12 ILE A 97 11.618 3.596 4.806 1.00 0.00 H new ATOM 0 HD13 ILE A 97 10.468 4.673 5.632 1.00 0.00 H new ATOM 1464 N ALA A 98 10.902 5.579 -0.083 1.00 0.00 N ATOM 1465 CA ALA A 98 11.462 6.519 -1.046 1.00 0.00 C ATOM 1466 C ALA A 98 10.452 6.853 -2.139 1.00 0.00 C ATOM 1467 O ALA A 98 10.059 8.009 -2.303 1.00 0.00 O ATOM 1468 CB ALA A 98 12.736 5.954 -1.657 1.00 0.00 C ATOM 0 H ALA A 98 11.435 4.716 0.023 1.00 0.00 H new ATOM 0 HA ALA A 98 11.704 7.441 -0.517 1.00 0.00 H new ATOM 0 HB1 ALA A 98 13.143 6.667 -2.374 1.00 0.00 H new ATOM 0 HB2 ALA A 98 13.468 5.773 -0.870 1.00 0.00 H new ATOM 0 HB3 ALA A 98 12.511 5.016 -2.165 1.00 0.00 H new ATOM 1474 N LEU A 99 10.036 5.835 -2.884 1.00 0.00 N ATOM 1475 CA LEU A 99 9.072 6.020 -3.963 1.00 0.00 C ATOM 1476 C LEU A 99 8.012 7.046 -3.575 1.00 0.00 C ATOM 1477 O LEU A 99 7.665 7.926 -4.365 1.00 0.00 O ATOM 1478 CB LEU A 99 8.405 4.689 -4.312 1.00 0.00 C ATOM 1479 CG LEU A 99 9.347 3.509 -4.552 1.00 0.00 C ATOM 1480 CD1 LEU A 99 8.555 2.234 -4.796 1.00 0.00 C ATOM 1481 CD2 LEU A 99 10.273 3.796 -5.725 1.00 0.00 C ATOM 0 H LEU A 99 10.351 4.873 -2.761 1.00 0.00 H new ATOM 0 HA LEU A 99 9.608 6.390 -4.837 1.00 0.00 H new ATOM 0 HB2 LEU A 99 7.722 4.425 -3.504 1.00 0.00 H new ATOM 0 HB3 LEU A 99 7.799 4.833 -5.207 1.00 0.00 H new ATOM 0 HG LEU A 99 9.956 3.368 -3.659 1.00 0.00 H new ATOM 0 HD11 LEU A 99 9.243 1.405 -4.965 1.00 0.00 H new ATOM 0 HD12 LEU A 99 7.934 2.019 -3.926 1.00 0.00 H new ATOM 0 HD13 LEU A 99 7.920 2.362 -5.672 1.00 0.00 H new ATOM 0 HD21 LEU A 99 10.936 2.945 -5.881 1.00 0.00 H new ATOM 0 HD22 LEU A 99 9.680 3.964 -6.624 1.00 0.00 H new ATOM 0 HD23 LEU A 99 10.867 4.685 -5.511 1.00 0.00 H new ATOM 1493 N LEU A 100 7.502 6.930 -2.354 1.00 0.00 N ATOM 1494 CA LEU A 100 6.483 7.849 -1.859 1.00 0.00 C ATOM 1495 C LEU A 100 7.049 9.256 -1.701 1.00 0.00 C ATOM 1496 O LEU A 100 6.433 10.235 -2.123 1.00 0.00 O ATOM 1497 CB LEU A 100 5.929 7.356 -0.521 1.00 0.00 C ATOM 1498 CG LEU A 100 5.413 5.917 -0.498 1.00 0.00 C ATOM 1499 CD1 LEU A 100 5.315 5.408 0.932 1.00 0.00 C ATOM 1500 CD2 LEU A 100 4.063 5.824 -1.193 1.00 0.00 C ATOM 0 H LEU A 100 7.778 6.208 -1.688 1.00 0.00 H new ATOM 0 HA LEU A 100 5.674 7.883 -2.589 1.00 0.00 H new ATOM 0 HB2 LEU A 100 6.712 7.452 0.231 1.00 0.00 H new ATOM 0 HB3 LEU A 100 5.116 8.017 -0.221 1.00 0.00 H new ATOM 0 HG LEU A 100 6.121 5.288 -1.038 1.00 0.00 H new ATOM 0 HD11 LEU A 100 4.946 4.382 0.929 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.300 5.438 1.397 1.00 0.00 H new ATOM 0 HD13 LEU A 100 4.628 6.039 1.496 1.00 0.00 H new ATOM 0 HD21 LEU A 100 3.711 4.793 -1.167 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.345 6.465 -0.681 1.00 0.00 H new ATOM 0 HD23 LEU A 100 4.164 6.147 -2.229 1.00 0.00 H new ATOM 1512 N GLN A 101 8.227 9.350 -1.091 1.00 0.00 N ATOM 1513 CA GLN A 101 8.877 10.637 -0.879 1.00 0.00 C ATOM 1514 C GLN A 101 9.398 11.208 -2.194 1.00 0.00 C ATOM 1515 O GLN A 101 9.761 12.381 -2.271 1.00 0.00 O ATOM 1516 CB GLN A 101 10.027 10.493 0.120 1.00 0.00 C ATOM 1517 CG GLN A 101 9.580 10.042 1.501 1.00 0.00 C ATOM 1518 CD GLN A 101 10.515 10.508 2.599 1.00 0.00 C ATOM 1519 OE1 GLN A 101 11.258 11.475 2.428 1.00 0.00 O ATOM 1520 NE2 GLN A 101 10.484 9.822 3.735 1.00 0.00 N ATOM 0 H GLN A 101 8.750 8.550 -0.735 1.00 0.00 H new ATOM 0 HA GLN A 101 8.137 11.327 -0.473 1.00 0.00 H new ATOM 0 HB2 GLN A 101 10.749 9.776 -0.271 1.00 0.00 H new ATOM 0 HB3 GLN A 101 10.542 11.449 0.208 1.00 0.00 H new ATOM 0 HG2 GLN A 101 8.578 10.423 1.697 1.00 0.00 H new ATOM 0 HG3 GLN A 101 9.517 8.954 1.521 1.00 0.00 H new ATOM 0 HE21 GLN A 101 9.853 9.027 3.834 1.00 0.00 H new ATOM 0 HE22 GLN A 101 11.092 10.090 4.509 1.00 0.00 H new ATOM 1529 N GLN A 102 9.433 10.369 -3.224 1.00 0.00 N ATOM 1530 CA GLN A 102 9.911 10.790 -4.536 1.00 0.00 C ATOM 1531 C GLN A 102 8.820 10.633 -5.590 1.00 0.00 C ATOM 1532 O GLN A 102 9.078 10.175 -6.703 1.00 0.00 O ATOM 1533 CB GLN A 102 11.144 9.979 -4.937 1.00 0.00 C ATOM 1534 CG GLN A 102 10.843 8.518 -5.229 1.00 0.00 C ATOM 1535 CD GLN A 102 11.774 7.927 -6.269 1.00 0.00 C ATOM 1536 OE1 GLN A 102 12.025 8.532 -7.311 1.00 0.00 O ATOM 1537 NE2 GLN A 102 12.294 6.737 -5.990 1.00 0.00 N ATOM 0 H GLN A 102 9.136 9.394 -3.176 1.00 0.00 H new ATOM 0 HA GLN A 102 10.182 11.844 -4.475 1.00 0.00 H new ATOM 0 HB2 GLN A 102 11.595 10.432 -5.820 1.00 0.00 H new ATOM 0 HB3 GLN A 102 11.882 10.036 -4.137 1.00 0.00 H new ATOM 0 HG2 GLN A 102 10.923 7.943 -4.306 1.00 0.00 H new ATOM 0 HG3 GLN A 102 9.813 8.425 -5.574 1.00 0.00 H new ATOM 0 HE21 GLN A 102 12.059 6.270 -5.114 1.00 0.00 H new ATOM 0 HE22 GLN A 102 12.928 6.290 -6.652 1.00 0.00 H new ATOM 1546 N THR A 103 7.598 11.017 -5.231 1.00 0.00 N ATOM 1547 CA THR A 103 6.467 10.917 -6.145 1.00 0.00 C ATOM 1548 C THR A 103 6.104 12.281 -6.720 1.00 0.00 C ATOM 1549 O THR A 103 6.261 13.308 -6.059 1.00 0.00 O ATOM 1550 CB THR A 103 5.231 10.322 -5.445 1.00 0.00 C ATOM 1551 OG1 THR A 103 5.626 9.256 -4.575 1.00 0.00 O ATOM 1552 CG2 THR A 103 4.228 9.805 -6.466 1.00 0.00 C ATOM 0 H THR A 103 7.367 11.400 -4.314 1.00 0.00 H new ATOM 0 HA THR A 103 6.771 10.254 -6.955 1.00 0.00 H new ATOM 0 HB THR A 103 4.757 11.110 -4.860 1.00 0.00 H new ATOM 0 HG1 THR A 103 6.439 8.834 -4.923 1.00 0.00 H new ATOM 0 HG21 THR A 103 3.363 9.389 -5.948 1.00 0.00 H new ATOM 0 HG22 THR A 103 3.907 10.625 -7.108 1.00 0.00 H new ATOM 0 HG23 THR A 103 4.694 9.030 -7.074 1.00 0.00 H new ATOM 1560 N THR A 104 5.616 12.286 -7.957 1.00 0.00 N ATOM 1561 CA THR A 104 5.231 13.524 -8.622 1.00 0.00 C ATOM 1562 C THR A 104 3.847 13.403 -9.251 1.00 0.00 C ATOM 1563 O THR A 104 3.264 12.320 -9.289 1.00 0.00 O ATOM 1564 CB THR A 104 6.245 13.915 -9.714 1.00 0.00 C ATOM 1565 OG1 THR A 104 6.772 12.738 -10.337 1.00 0.00 O ATOM 1566 CG2 THR A 104 7.382 14.736 -9.126 1.00 0.00 C ATOM 0 H THR A 104 5.478 11.446 -8.518 1.00 0.00 H new ATOM 0 HA THR A 104 5.214 14.301 -7.857 1.00 0.00 H new ATOM 0 HB THR A 104 5.729 14.520 -10.460 1.00 0.00 H new ATOM 0 HG1 THR A 104 7.414 12.995 -11.031 1.00 0.00 H new ATOM 0 HG21 THR A 104 8.086 15.001 -9.915 1.00 0.00 H new ATOM 0 HG22 THR A 104 6.981 15.645 -8.678 1.00 0.00 H new ATOM 0 HG23 THR A 104 7.896 14.152 -8.363 1.00 0.00 H new ATOM 1574 N GLY A 105 3.326 14.522 -9.744 1.00 0.00 N ATOM 1575 CA GLY A 105 2.014 14.519 -10.364 1.00 0.00 C ATOM 1576 C GLY A 105 0.977 13.801 -9.524 1.00 0.00 C ATOM 1577 O GLY A 105 0.310 14.415 -8.691 1.00 0.00 O ATOM 0 H GLY A 105 3.789 15.431 -9.725 1.00 0.00 H new ATOM 0 HA2 GLY A 105 1.693 15.547 -10.532 1.00 0.00 H new ATOM 0 HA3 GLY A 105 2.079 14.042 -11.342 1.00 0.00 H new ATOM 1581 N SER A 106 0.838 12.498 -9.743 1.00 0.00 N ATOM 1582 CA SER A 106 -0.130 11.697 -9.003 1.00 0.00 C ATOM 1583 C SER A 106 0.566 10.577 -8.236 1.00 0.00 C ATOM 1584 O SER A 106 1.637 10.111 -8.627 1.00 0.00 O ATOM 1585 CB SER A 106 -1.171 11.107 -9.957 1.00 0.00 C ATOM 1586 OG SER A 106 -2.410 10.907 -9.299 1.00 0.00 O ATOM 0 H SER A 106 1.384 11.974 -10.427 1.00 0.00 H new ATOM 0 HA SER A 106 -0.632 12.348 -8.287 1.00 0.00 H new ATOM 0 HB2 SER A 106 -1.311 11.775 -10.807 1.00 0.00 H new ATOM 0 HB3 SER A 106 -0.809 10.159 -10.354 1.00 0.00 H new ATOM 0 HG SER A 106 -3.059 10.531 -9.930 1.00 0.00 H new ATOM 1592 N LEU A 107 -0.051 10.148 -7.140 1.00 0.00 N ATOM 1593 CA LEU A 107 0.508 9.082 -6.315 1.00 0.00 C ATOM 1594 C LEU A 107 -0.470 7.918 -6.194 1.00 0.00 C ATOM 1595 O LEU A 107 -1.457 7.996 -5.462 1.00 0.00 O ATOM 1596 CB LEU A 107 0.857 9.616 -4.925 1.00 0.00 C ATOM 1597 CG LEU A 107 1.254 8.569 -3.884 1.00 0.00 C ATOM 1598 CD1 LEU A 107 2.480 7.796 -4.346 1.00 0.00 C ATOM 1599 CD2 LEU A 107 1.513 9.227 -2.537 1.00 0.00 C ATOM 0 H LEU A 107 -0.938 10.522 -6.802 1.00 0.00 H new ATOM 0 HA LEU A 107 1.416 8.721 -6.797 1.00 0.00 H new ATOM 0 HB2 LEU A 107 1.677 10.327 -5.026 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -0.001 10.170 -4.545 1.00 0.00 H new ATOM 0 HG LEU A 107 0.428 7.867 -3.770 1.00 0.00 H new ATOM 0 HD11 LEU A 107 2.748 7.055 -3.593 1.00 0.00 H new ATOM 0 HD12 LEU A 107 2.259 7.293 -5.287 1.00 0.00 H new ATOM 0 HD13 LEU A 107 3.312 8.485 -4.489 1.00 0.00 H new ATOM 0 HD21 LEU A 107 1.794 8.466 -1.809 1.00 0.00 H new ATOM 0 HD22 LEU A 107 2.321 9.952 -2.635 1.00 0.00 H new ATOM 0 HD23 LEU A 107 0.609 9.735 -2.200 1.00 0.00 H new ATOM 1611 N ARG A 108 -0.189 6.838 -6.917 1.00 0.00 N ATOM 1612 CA ARG A 108 -1.043 5.657 -6.890 1.00 0.00 C ATOM 1613 C ARG A 108 -0.500 4.615 -5.916 1.00 0.00 C ATOM 1614 O ARG A 108 0.682 4.272 -5.954 1.00 0.00 O ATOM 1615 CB ARG A 108 -1.157 5.052 -8.290 1.00 0.00 C ATOM 1616 CG ARG A 108 -2.403 4.203 -8.487 1.00 0.00 C ATOM 1617 CD ARG A 108 -2.167 3.095 -9.501 1.00 0.00 C ATOM 1618 NE ARG A 108 -2.393 3.549 -10.871 1.00 0.00 N ATOM 1619 CZ ARG A 108 -2.285 2.760 -11.934 1.00 0.00 C ATOM 1620 NH1 ARG A 108 -1.956 1.484 -11.786 1.00 0.00 N ATOM 1621 NH2 ARG A 108 -2.506 3.246 -13.148 1.00 0.00 N ATOM 0 H ARG A 108 0.623 6.757 -7.528 1.00 0.00 H new ATOM 0 HA ARG A 108 -2.033 5.963 -6.552 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -1.156 5.856 -9.025 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -0.276 4.440 -8.485 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -2.702 3.768 -7.534 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -3.226 4.835 -8.821 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -1.145 2.727 -9.405 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -2.829 2.257 -9.283 1.00 0.00 H new ATOM 0 HE ARG A 108 -2.648 4.525 -11.019 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -1.785 1.106 -10.854 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -1.874 0.880 -12.604 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -2.759 4.227 -13.266 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -2.423 2.639 -13.963 1.00 0.00 H new ATOM 1635 N LEU A 109 -1.370 4.117 -5.045 1.00 0.00 N ATOM 1636 CA LEU A 109 -0.978 3.114 -4.060 1.00 0.00 C ATOM 1637 C LEU A 109 -1.987 1.971 -4.016 1.00 0.00 C ATOM 1638 O LEU A 109 -3.175 2.187 -3.774 1.00 0.00 O ATOM 1639 CB LEU A 109 -0.853 3.752 -2.676 1.00 0.00 C ATOM 1640 CG LEU A 109 0.004 5.016 -2.594 1.00 0.00 C ATOM 1641 CD1 LEU A 109 0.166 5.459 -1.148 1.00 0.00 C ATOM 1642 CD2 LEU A 109 1.363 4.781 -3.237 1.00 0.00 C ATOM 0 H LEU A 109 -2.352 4.391 -5.000 1.00 0.00 H new ATOM 0 HA LEU A 109 -0.010 2.709 -4.355 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -1.854 3.992 -2.317 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -0.438 3.011 -1.993 1.00 0.00 H new ATOM 0 HG LEU A 109 -0.502 5.811 -3.141 1.00 0.00 H new ATOM 0 HD11 LEU A 109 0.779 6.360 -1.110 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -0.814 5.668 -0.720 1.00 0.00 H new ATOM 0 HD13 LEU A 109 0.650 4.667 -0.577 1.00 0.00 H new ATOM 0 HD21 LEU A 109 1.960 5.691 -3.170 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.876 3.971 -2.718 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.228 4.512 -4.285 1.00 0.00 H new ATOM 1654 N ILE A 110 -1.505 0.755 -4.250 1.00 0.00 N ATOM 1655 CA ILE A 110 -2.364 -0.423 -4.233 1.00 0.00 C ATOM 1656 C ILE A 110 -2.297 -1.133 -2.886 1.00 0.00 C ATOM 1657 O ILE A 110 -1.334 -1.843 -2.593 1.00 0.00 O ATOM 1658 CB ILE A 110 -1.978 -1.417 -5.345 1.00 0.00 C ATOM 1659 CG1 ILE A 110 -2.280 -0.819 -6.721 1.00 0.00 C ATOM 1660 CG2 ILE A 110 -2.718 -2.733 -5.159 1.00 0.00 C ATOM 1661 CD1 ILE A 110 -1.797 -1.675 -7.871 1.00 0.00 C ATOM 0 H ILE A 110 -0.525 0.560 -4.454 1.00 0.00 H new ATOM 0 HA ILE A 110 -3.382 -0.074 -4.406 1.00 0.00 H new ATOM 0 HB ILE A 110 -0.908 -1.613 -5.282 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -3.356 -0.671 -6.816 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -1.815 0.165 -6.791 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -2.435 -3.425 -5.952 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -2.458 -3.163 -4.192 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -3.793 -2.555 -5.199 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -2.045 -1.190 -8.815 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -0.717 -1.802 -7.801 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -2.281 -2.651 -7.827 1.00 0.00 H new ATOM 1673 N VAL A 111 -3.328 -0.940 -2.069 1.00 0.00 N ATOM 1674 CA VAL A 111 -3.388 -1.565 -0.753 1.00 0.00 C ATOM 1675 C VAL A 111 -4.374 -2.728 -0.741 1.00 0.00 C ATOM 1676 O VAL A 111 -5.253 -2.818 -1.597 1.00 0.00 O ATOM 1677 CB VAL A 111 -3.795 -0.550 0.332 1.00 0.00 C ATOM 1678 CG1 VAL A 111 -2.797 0.597 0.392 1.00 0.00 C ATOM 1679 CG2 VAL A 111 -5.201 -0.031 0.074 1.00 0.00 C ATOM 0 H VAL A 111 -4.133 -0.356 -2.295 1.00 0.00 H new ATOM 0 HA VAL A 111 -2.388 -1.939 -0.534 1.00 0.00 H new ATOM 0 HB VAL A 111 -3.790 -1.055 1.298 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -3.101 1.304 1.164 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -1.807 0.206 0.627 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -2.767 1.104 -0.572 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -5.473 0.685 0.850 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -5.235 0.458 -0.899 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -5.904 -0.864 0.086 1.00 0.00 H new ATOM 1689 N ALA A 112 -4.221 -3.616 0.235 1.00 0.00 N ATOM 1690 CA ALA A 112 -5.099 -4.772 0.361 1.00 0.00 C ATOM 1691 C ALA A 112 -5.933 -4.693 1.635 1.00 0.00 C ATOM 1692 O ALA A 112 -5.598 -3.956 2.563 1.00 0.00 O ATOM 1693 CB ALA A 112 -4.286 -6.058 0.339 1.00 0.00 C ATOM 0 H ALA A 112 -3.497 -3.557 0.951 1.00 0.00 H new ATOM 0 HA ALA A 112 -5.781 -4.772 -0.489 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -4.955 -6.913 0.434 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -3.740 -6.127 -0.602 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -3.580 -6.056 1.169 1.00 0.00 H new ATOM 1699 N ARG A 113 -7.021 -5.455 1.673 1.00 0.00 N ATOM 1700 CA ARG A 113 -7.904 -5.470 2.833 1.00 0.00 C ATOM 1701 C ARG A 113 -8.428 -6.877 3.100 1.00 0.00 C ATOM 1702 O ARG A 113 -8.459 -7.719 2.203 1.00 0.00 O ATOM 1703 CB ARG A 113 -9.075 -4.509 2.621 1.00 0.00 C ATOM 1704 CG ARG A 113 -8.724 -3.298 1.773 1.00 0.00 C ATOM 1705 CD ARG A 113 -9.613 -2.109 2.104 1.00 0.00 C ATOM 1706 NE ARG A 113 -9.324 -0.956 1.256 1.00 0.00 N ATOM 1707 CZ ARG A 113 -9.612 0.296 1.594 1.00 0.00 C ATOM 1708 NH1 ARG A 113 -10.193 0.555 2.757 1.00 0.00 N ATOM 1709 NH2 ARG A 113 -9.317 1.292 0.768 1.00 0.00 N ATOM 0 H ARG A 113 -7.312 -6.070 0.913 1.00 0.00 H new ATOM 0 HA ARG A 113 -7.329 -5.145 3.700 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -9.895 -5.048 2.147 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -9.436 -4.170 3.592 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -7.680 -3.029 1.935 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -8.828 -3.549 0.717 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -10.658 -2.394 1.984 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -9.475 -1.833 3.150 1.00 0.00 H new ATOM 0 HE ARG A 113 -8.876 -1.121 0.354 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -10.420 -0.208 3.395 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -10.413 1.517 3.014 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -8.869 1.096 -0.127 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -9.539 2.253 1.028 1.00 0.00 H new ATOM 1723 N GLU A 114 -8.838 -7.125 4.341 1.00 0.00 N ATOM 1724 CA GLU A 114 -9.359 -8.432 4.725 1.00 0.00 C ATOM 1725 C GLU A 114 -10.820 -8.578 4.309 1.00 0.00 C ATOM 1726 O GLU A 114 -11.631 -7.665 4.464 1.00 0.00 O ATOM 1727 CB GLU A 114 -9.225 -8.635 6.236 1.00 0.00 C ATOM 1728 CG GLU A 114 -9.704 -9.995 6.712 1.00 0.00 C ATOM 1729 CD GLU A 114 -8.615 -11.049 6.661 1.00 0.00 C ATOM 1730 OE1 GLU A 114 -7.868 -11.083 5.660 1.00 0.00 O ATOM 1731 OE2 GLU A 114 -8.509 -11.839 7.622 1.00 0.00 O ATOM 0 H GLU A 114 -8.819 -6.439 5.096 1.00 0.00 H new ATOM 0 HA GLU A 114 -8.774 -9.194 4.210 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -8.180 -8.507 6.520 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -9.792 -7.859 6.750 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -10.073 -9.909 7.734 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -10.544 -10.316 6.096 1.00 0.00 H new ATOM 1738 N PRO A 115 -11.165 -9.756 3.767 1.00 0.00 N ATOM 1739 CA PRO A 115 -12.529 -10.051 3.317 1.00 0.00 C ATOM 1740 C PRO A 115 -13.506 -10.189 4.480 1.00 0.00 C ATOM 1741 O PRO A 115 -13.124 -10.059 5.643 1.00 0.00 O ATOM 1742 CB PRO A 115 -12.379 -11.386 2.583 1.00 0.00 C ATOM 1743 CG PRO A 115 -11.175 -12.019 3.190 1.00 0.00 C ATOM 1744 CD PRO A 115 -10.251 -10.890 3.551 1.00 0.00 C ATOM 0 HA PRO A 115 -12.936 -9.252 2.698 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -13.263 -12.011 2.713 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -12.250 -11.236 1.511 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -11.443 -12.601 4.072 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -10.699 -12.704 2.488 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -9.672 -11.115 4.447 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -9.537 -10.684 2.753 1.00 0.00 H new ATOM 1752 N VAL A 116 -14.768 -10.453 4.158 1.00 0.00 N ATOM 1753 CA VAL A 116 -15.800 -10.611 5.176 1.00 0.00 C ATOM 1754 C VAL A 116 -16.788 -11.706 4.792 1.00 0.00 C ATOM 1755 O VAL A 116 -17.161 -11.840 3.626 1.00 0.00 O ATOM 1756 CB VAL A 116 -16.569 -9.296 5.403 1.00 0.00 C ATOM 1757 CG1 VAL A 116 -17.661 -9.490 6.444 1.00 0.00 C ATOM 1758 CG2 VAL A 116 -15.616 -8.186 5.819 1.00 0.00 C ATOM 0 H VAL A 116 -15.101 -10.562 3.200 1.00 0.00 H new ATOM 0 HA VAL A 116 -15.294 -10.891 6.100 1.00 0.00 H new ATOM 0 HB VAL A 116 -17.041 -9.005 4.465 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -18.194 -8.551 6.592 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -18.359 -10.253 6.101 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -17.213 -9.805 7.387 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -16.177 -7.264 5.975 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -15.113 -8.466 6.745 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -14.874 -8.031 5.036 1.00 0.00 H new ATOM 1768 N HIS A 117 -17.210 -12.488 5.780 1.00 0.00 N ATOM 1769 CA HIS A 117 -18.158 -13.572 5.546 1.00 0.00 C ATOM 1770 C HIS A 117 -19.533 -13.222 6.107 1.00 0.00 C ATOM 1771 O HIS A 117 -19.649 -12.708 7.220 1.00 0.00 O ATOM 1772 CB HIS A 117 -17.650 -14.867 6.180 1.00 0.00 C ATOM 1773 CG HIS A 117 -18.652 -15.980 6.154 1.00 0.00 C ATOM 1774 ND1 HIS A 117 -19.606 -16.157 7.134 1.00 0.00 N ATOM 1775 CD2 HIS A 117 -18.847 -16.975 5.257 1.00 0.00 C ATOM 1776 CE1 HIS A 117 -20.343 -17.214 6.842 1.00 0.00 C ATOM 1777 NE2 HIS A 117 -19.903 -17.729 5.708 1.00 0.00 N ATOM 0 H HIS A 117 -16.911 -12.392 6.750 1.00 0.00 H new ATOM 0 HA HIS A 117 -18.250 -13.715 4.469 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -16.749 -15.188 5.658 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -17.366 -14.669 7.214 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -18.278 -17.144 4.355 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -21.166 -17.593 7.431 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -20.285 -18.552 5.243 1.00 0.00 H new ATOM 1786 N THR A 118 -20.574 -13.505 5.329 1.00 0.00 N ATOM 1787 CA THR A 118 -21.940 -13.218 5.747 1.00 0.00 C ATOM 1788 C THR A 118 -22.262 -13.895 7.074 1.00 0.00 C ATOM 1789 O THR A 118 -22.235 -15.121 7.181 1.00 0.00 O ATOM 1790 CB THR A 118 -22.960 -13.679 4.688 1.00 0.00 C ATOM 1791 OG1 THR A 118 -22.706 -15.041 4.324 1.00 0.00 O ATOM 1792 CG2 THR A 118 -22.891 -12.797 3.451 1.00 0.00 C ATOM 0 H THR A 118 -20.496 -13.933 4.406 1.00 0.00 H new ATOM 0 HA THR A 118 -22.014 -12.137 5.866 1.00 0.00 H new ATOM 0 HB THR A 118 -23.959 -13.598 5.117 1.00 0.00 H new ATOM 0 HG1 THR A 118 -22.399 -15.538 5.111 1.00 0.00 H new ATOM 0 HG21 THR A 118 -23.620 -13.141 2.717 1.00 0.00 H new ATOM 0 HG22 THR A 118 -23.113 -11.766 3.726 1.00 0.00 H new ATOM 0 HG23 THR A 118 -21.891 -12.851 3.021 1.00 0.00 H new ATOM 1800 N LYS A 119 -22.568 -13.089 8.085 1.00 0.00 N ATOM 1801 CA LYS A 119 -22.899 -13.609 9.407 1.00 0.00 C ATOM 1802 C LYS A 119 -24.208 -13.014 9.914 1.00 0.00 C ATOM 1803 O LYS A 119 -24.780 -12.122 9.287 1.00 0.00 O ATOM 1804 CB LYS A 119 -21.771 -13.302 10.394 1.00 0.00 C ATOM 1805 CG LYS A 119 -20.521 -14.135 10.169 1.00 0.00 C ATOM 1806 CD LYS A 119 -19.378 -13.679 11.059 1.00 0.00 C ATOM 1807 CE LYS A 119 -19.469 -14.299 12.445 1.00 0.00 C ATOM 1808 NZ LYS A 119 -18.839 -13.435 13.482 1.00 0.00 N ATOM 0 H LYS A 119 -22.594 -12.072 8.014 1.00 0.00 H new ATOM 0 HA LYS A 119 -23.019 -14.689 9.326 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -21.512 -12.246 10.319 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -22.132 -13.471 11.409 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -20.741 -15.184 10.367 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -20.219 -14.065 9.124 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -18.427 -13.950 10.600 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -19.393 -12.592 11.144 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -20.515 -14.467 12.699 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -18.981 -15.274 12.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -18.922 -13.893 14.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -17.834 -13.295 13.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -19.321 -12.513 13.505 1.00 0.00 H new ATOM 1822 N SER A 120 -24.678 -13.513 11.053 1.00 0.00 N ATOM 1823 CA SER A 120 -25.922 -13.033 11.643 1.00 0.00 C ATOM 1824 C SER A 120 -25.690 -11.741 12.421 1.00 0.00 C ATOM 1825 O SER A 120 -24.633 -11.545 13.020 1.00 0.00 O ATOM 1826 CB SER A 120 -26.518 -14.098 12.566 1.00 0.00 C ATOM 1827 OG SER A 120 -27.883 -13.831 12.837 1.00 0.00 O ATOM 0 H SER A 120 -24.216 -14.250 11.586 1.00 0.00 H new ATOM 0 HA SER A 120 -26.624 -12.829 10.835 1.00 0.00 H new ATOM 0 HB2 SER A 120 -26.421 -15.080 12.103 1.00 0.00 H new ATOM 0 HB3 SER A 120 -25.958 -14.129 13.500 1.00 0.00 H new ATOM 0 HG SER A 120 -28.241 -14.526 13.427 1.00 0.00 H new ATOM 1833 N SER A 121 -26.688 -10.863 12.407 1.00 0.00 N ATOM 1834 CA SER A 121 -26.593 -9.587 13.108 1.00 0.00 C ATOM 1835 C SER A 121 -27.966 -9.127 13.587 1.00 0.00 C ATOM 1836 O SER A 121 -28.993 -9.685 13.197 1.00 0.00 O ATOM 1837 CB SER A 121 -25.976 -8.525 12.196 1.00 0.00 C ATOM 1838 OG SER A 121 -25.664 -7.349 12.922 1.00 0.00 O ATOM 0 H SER A 121 -27.571 -11.011 11.918 1.00 0.00 H new ATOM 0 HA SER A 121 -25.952 -9.725 13.978 1.00 0.00 H new ATOM 0 HB2 SER A 121 -25.072 -8.920 11.732 1.00 0.00 H new ATOM 0 HB3 SER A 121 -26.670 -8.285 11.390 1.00 0.00 H new ATOM 0 HG SER A 121 -25.269 -6.686 12.317 1.00 0.00 H new ATOM 1844 N THR A 122 -27.978 -8.104 14.436 1.00 0.00 N ATOM 1845 CA THR A 122 -29.224 -7.569 14.970 1.00 0.00 C ATOM 1846 C THR A 122 -29.528 -6.195 14.384 1.00 0.00 C ATOM 1847 O THR A 122 -28.629 -5.498 13.913 1.00 0.00 O ATOM 1848 CB THR A 122 -29.175 -7.459 16.506 1.00 0.00 C ATOM 1849 OG1 THR A 122 -30.422 -6.959 17.001 1.00 0.00 O ATOM 1850 CG2 THR A 122 -28.044 -6.543 16.948 1.00 0.00 C ATOM 0 H THR A 122 -27.139 -7.630 14.768 1.00 0.00 H new ATOM 0 HA THR A 122 -30.014 -8.265 14.687 1.00 0.00 H new ATOM 0 HB THR A 122 -28.995 -8.454 16.914 1.00 0.00 H new ATOM 0 HG1 THR A 122 -30.383 -6.893 17.978 1.00 0.00 H new ATOM 0 HG21 THR A 122 -28.030 -6.481 18.036 1.00 0.00 H new ATOM 0 HG22 THR A 122 -27.093 -6.942 16.595 1.00 0.00 H new ATOM 0 HG23 THR A 122 -28.197 -5.548 16.530 1.00 0.00 H new ATOM 1858 N SER A 123 -30.800 -5.812 14.415 1.00 0.00 N ATOM 1859 CA SER A 123 -31.223 -4.522 13.884 1.00 0.00 C ATOM 1860 C SER A 123 -31.607 -3.568 15.011 1.00 0.00 C ATOM 1861 O SER A 123 -31.735 -3.974 16.166 1.00 0.00 O ATOM 1862 CB SER A 123 -32.406 -4.702 12.929 1.00 0.00 C ATOM 1863 OG SER A 123 -31.976 -5.198 11.674 1.00 0.00 O ATOM 0 H SER A 123 -31.556 -6.377 14.802 1.00 0.00 H new ATOM 0 HA SER A 123 -30.385 -4.091 13.337 1.00 0.00 H new ATOM 0 HB2 SER A 123 -33.130 -5.389 13.367 1.00 0.00 H new ATOM 0 HB3 SER A 123 -32.915 -3.748 12.792 1.00 0.00 H new ATOM 0 HG SER A 123 -32.750 -5.306 11.082 1.00 0.00 H new ATOM 1869 N GLY A 124 -31.787 -2.297 14.667 1.00 0.00 N ATOM 1870 CA GLY A 124 -32.154 -1.304 15.661 1.00 0.00 C ATOM 1871 C GLY A 124 -31.808 0.106 15.226 1.00 0.00 C ATOM 1872 O GLY A 124 -30.909 0.745 15.774 1.00 0.00 O ATOM 0 H GLY A 124 -31.685 -1.937 13.718 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -33.224 -1.368 15.857 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -31.645 -1.527 16.598 1.00 0.00 H new ATOM 1876 N PRO A 125 -32.533 0.613 14.218 1.00 0.00 N ATOM 1877 CA PRO A 125 -32.315 1.962 13.687 1.00 0.00 C ATOM 1878 C PRO A 125 -32.743 3.047 14.669 1.00 0.00 C ATOM 1879 O PRO A 125 -31.997 3.992 14.928 1.00 0.00 O ATOM 1880 CB PRO A 125 -33.196 1.996 12.435 1.00 0.00 C ATOM 1881 CG PRO A 125 -34.263 0.990 12.694 1.00 0.00 C ATOM 1882 CD PRO A 125 -33.620 -0.092 13.518 1.00 0.00 C ATOM 0 HA PRO A 125 -31.261 2.157 13.489 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -33.618 2.988 12.275 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -32.624 1.745 11.542 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -35.102 1.439 13.226 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -34.656 0.588 11.760 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -34.327 -0.537 14.218 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -33.238 -0.900 12.893 1.00 0.00 H new ATOM 1890 N SER A 126 -33.948 2.906 15.212 1.00 0.00 N ATOM 1891 CA SER A 126 -34.476 3.877 16.164 1.00 0.00 C ATOM 1892 C SER A 126 -34.012 5.288 15.814 1.00 0.00 C ATOM 1893 O SER A 126 -33.659 6.073 16.694 1.00 0.00 O ATOM 1894 CB SER A 126 -34.036 3.521 17.585 1.00 0.00 C ATOM 1895 OG SER A 126 -32.666 3.822 17.786 1.00 0.00 O ATOM 0 H SER A 126 -34.577 2.129 15.009 1.00 0.00 H new ATOM 0 HA SER A 126 -35.564 3.847 16.110 1.00 0.00 H new ATOM 0 HB2 SER A 126 -34.642 4.071 18.305 1.00 0.00 H new ATOM 0 HB3 SER A 126 -34.209 2.460 17.767 1.00 0.00 H new ATOM 0 HG SER A 126 -32.548 4.794 17.835 1.00 0.00 H new ATOM 1901 N SER A 127 -34.015 5.602 14.523 1.00 0.00 N ATOM 1902 CA SER A 127 -33.591 6.916 14.055 1.00 0.00 C ATOM 1903 C SER A 127 -34.451 7.379 12.883 1.00 0.00 C ATOM 1904 O SER A 127 -34.902 6.572 12.072 1.00 0.00 O ATOM 1905 CB SER A 127 -32.119 6.883 13.640 1.00 0.00 C ATOM 1906 OG SER A 127 -31.674 8.166 13.234 1.00 0.00 O ATOM 0 H SER A 127 -34.306 4.964 13.782 1.00 0.00 H new ATOM 0 HA SER A 127 -33.714 7.623 14.875 1.00 0.00 H new ATOM 0 HB2 SER A 127 -31.511 6.531 14.473 1.00 0.00 H new ATOM 0 HB3 SER A 127 -31.984 6.173 12.824 1.00 0.00 H new ATOM 0 HG SER A 127 -30.730 8.118 12.975 1.00 0.00 H new ATOM 1912 N GLY A 128 -34.674 8.688 12.801 1.00 0.00 N ATOM 1913 CA GLY A 128 -35.479 9.237 11.726 1.00 0.00 C ATOM 1914 C GLY A 128 -34.724 9.307 10.413 1.00 0.00 C ATOM 1915 O GLY A 128 -33.513 9.525 10.398 1.00 0.00 O ATOM 0 H GLY A 128 -34.311 9.377 13.460 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -36.372 8.625 11.596 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -35.815 10.237 12.002 1.00 0.00 H new TER 1919 GLY A 128