USER MOD reduce.3.24.130724 H: found=0, std=0, add=1111, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1106 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 16 THR OG1 : rot -79:sc= 1.08 USER MOD Set 1.2: A 128 THR OG1 : rot 180:sc= 0.934 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (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 46:sc= 0.564 USER MOD Single : A 6 SER OG : rot -71:sc= 0.0172 USER MOD Single : A 8 SER OG : rot -136:sc= 1.27 USER MOD Single : A 12 GLN : amide:sc= 0.0644 K(o=0.064,f=-1.4) USER MOD Single : A 14 GLN : amide:sc=-0.00113 K(o=-0.0011,f=-0.71) USER MOD Single : A 19 HIS : no HD1:sc= -3.11! C(o=-3.1!,f=-8.1!) USER MOD Single : A 20 SER OG : rot 160:sc= 0.342 USER MOD Single : A 21 SER OG : rot 180:sc=-0.00264 USER MOD Single : A 22 GLN : amide:sc= 0.773 K(o=0.77,f=0) USER MOD Single : A 24 ASN :FLIP amide:sc= -4.52! C(o=-5.3!,f=-4.5!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HD1:sc= -0.0364 X(o=-0.036,f=-0.036) USER MOD Single : A 33 CYS SG : rot 180:sc= -1.26 USER MOD Single : A 35 ASN : amide:sc= -0.339 X(o=-0.34,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= -0.28 USER MOD Single : A 47 TYR OH : rot 130:sc= -0.306 USER MOD Single : A 50 MET CE :methyl -122:sc= -0.35 (180deg=-1.33) USER MOD Single : A 51 TYR OH : rot -179:sc= -1.78 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 142:sc= 0.949 USER MOD Single : A 65 HIS : no HD1:sc= -0.244 X(o=-0.24,f=-0.26) USER MOD Single : A 67 SER OG : rot -160:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.435 X(o=-0.43,f=-0.11) USER MOD Single : A 77 GLN :FLIP amide:sc= 0 F(o=-0.58,f=0) USER MOD Single : A 78 SER OG : rot 180:sc= -0.643 USER MOD Single : A 82 SER OG : rot 49:sc= 0.739 USER MOD Single : A 84 SER OG : rot 180:sc= 0.00762 USER MOD Single : A 89 GLN : amide:sc= -5.53! C(o=-5.5!,f=-6.6!) USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.018 USER MOD Single : A 98 LYS NZ :NH3+ -121:sc= -0.604 (180deg=-4.14!) USER MOD Single : A 99 ASN : amide:sc= 0.57 K(o=0.57,f=-5.2!) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 GLN : amide:sc= -0.398 X(o=-0.4,f=-0.16) USER MOD Single : A 131 TYR OH : rot 120:sc= 0.129 USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD Single : A 140 SER OG : rot 180:sc= 0 USER MOD Single : A 141 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 22.197 -2.516 3.659 1.00 0.00 N ATOM 2 CA GLY A 1 23.576 -2.069 3.598 1.00 0.00 C ATOM 3 C GLY A 1 23.818 -0.821 4.425 1.00 0.00 C ATOM 4 O GLY A 1 24.186 -0.907 5.596 1.00 0.00 O ATOM 0 H1 GLY A 1 22.083 -3.371 3.078 1.00 0.00 H new ATOM 0 H2 GLY A 1 21.945 -2.731 4.645 1.00 0.00 H new ATOM 0 H3 GLY A 1 21.573 -1.767 3.298 1.00 0.00 H new ATOM 0 HA2 GLY A 1 24.229 -2.867 3.950 1.00 0.00 H new ATOM 0 HA3 GLY A 1 23.845 -1.871 2.560 1.00 0.00 H new ATOM 8 N SER A 2 23.614 0.341 3.813 1.00 0.00 N ATOM 9 CA SER A 2 23.818 1.612 4.499 1.00 0.00 C ATOM 10 C SER A 2 22.648 2.558 4.250 1.00 0.00 C ATOM 11 O SER A 2 22.508 3.116 3.161 1.00 0.00 O ATOM 12 CB SER A 2 25.123 2.262 4.035 1.00 0.00 C ATOM 13 OG SER A 2 25.350 3.488 4.709 1.00 0.00 O ATOM 0 H SER A 2 23.308 0.429 2.844 1.00 0.00 H new ATOM 0 HA SER A 2 23.880 1.414 5.569 1.00 0.00 H new ATOM 0 HB2 SER A 2 25.956 1.583 4.218 1.00 0.00 H new ATOM 0 HB3 SER A 2 25.084 2.436 2.960 1.00 0.00 H new ATOM 0 HG SER A 2 26.191 3.883 4.396 1.00 0.00 H new ATOM 19 N SER A 3 21.810 2.734 5.266 1.00 0.00 N ATOM 20 CA SER A 3 20.649 3.609 5.157 1.00 0.00 C ATOM 21 C SER A 3 20.961 4.997 5.710 1.00 0.00 C ATOM 22 O SER A 3 20.672 5.296 6.867 1.00 0.00 O ATOM 23 CB SER A 3 19.458 3.007 5.905 1.00 0.00 C ATOM 24 OG SER A 3 19.066 1.773 5.329 1.00 0.00 O ATOM 0 H SER A 3 21.913 2.282 6.175 1.00 0.00 H new ATOM 0 HA SER A 3 20.396 3.705 4.101 1.00 0.00 H new ATOM 0 HB2 SER A 3 19.721 2.856 6.952 1.00 0.00 H new ATOM 0 HB3 SER A 3 18.621 3.704 5.884 1.00 0.00 H new ATOM 0 HG SER A 3 18.304 1.407 5.826 1.00 0.00 H new ATOM 30 N GLY A 4 21.555 5.841 4.871 1.00 0.00 N ATOM 31 CA GLY A 4 21.897 7.187 5.292 1.00 0.00 C ATOM 32 C GLY A 4 20.778 8.177 5.037 1.00 0.00 C ATOM 33 O GLY A 4 19.608 7.875 5.272 1.00 0.00 O ATOM 0 H GLY A 4 21.805 5.616 3.908 1.00 0.00 H new ATOM 0 HA2 GLY A 4 22.138 7.182 6.355 1.00 0.00 H new ATOM 0 HA3 GLY A 4 22.793 7.513 4.764 1.00 0.00 H new ATOM 37 N SER A 5 21.138 9.362 4.556 1.00 0.00 N ATOM 38 CA SER A 5 20.155 10.402 4.273 1.00 0.00 C ATOM 39 C SER A 5 19.149 9.930 3.228 1.00 0.00 C ATOM 40 O SER A 5 19.372 10.073 2.026 1.00 0.00 O ATOM 41 CB SER A 5 20.853 11.674 3.787 1.00 0.00 C ATOM 42 OG SER A 5 21.682 11.406 2.670 1.00 0.00 O ATOM 0 H SER A 5 22.102 9.626 4.354 1.00 0.00 H new ATOM 0 HA SER A 5 19.618 10.620 5.196 1.00 0.00 H new ATOM 0 HB2 SER A 5 20.107 12.422 3.519 1.00 0.00 H new ATOM 0 HB3 SER A 5 21.451 12.096 4.595 1.00 0.00 H new ATOM 0 HG SER A 5 21.197 10.844 2.030 1.00 0.00 H new ATOM 48 N SER A 6 18.040 9.366 3.696 1.00 0.00 N ATOM 49 CA SER A 6 17.000 8.868 2.803 1.00 0.00 C ATOM 50 C SER A 6 15.691 9.622 3.021 1.00 0.00 C ATOM 51 O SER A 6 15.355 9.993 4.144 1.00 0.00 O ATOM 52 CB SER A 6 16.782 7.370 3.025 1.00 0.00 C ATOM 53 OG SER A 6 16.571 7.083 4.396 1.00 0.00 O ATOM 0 H SER A 6 17.839 9.242 4.688 1.00 0.00 H new ATOM 0 HA SER A 6 17.327 9.032 1.776 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.923 7.034 2.444 1.00 0.00 H new ATOM 0 HB3 SER A 6 17.648 6.816 2.663 1.00 0.00 H new ATOM 0 HG SER A 6 17.412 7.192 4.886 1.00 0.00 H new ATOM 59 N GLY A 7 14.956 9.844 1.935 1.00 0.00 N ATOM 60 CA GLY A 7 13.693 10.552 2.027 1.00 0.00 C ATOM 61 C GLY A 7 12.839 10.377 0.787 1.00 0.00 C ATOM 62 O GLY A 7 12.877 9.330 0.141 1.00 0.00 O ATOM 0 H GLY A 7 15.213 9.546 0.994 1.00 0.00 H new ATOM 0 HA2 GLY A 7 13.142 10.195 2.897 1.00 0.00 H new ATOM 0 HA3 GLY A 7 13.885 11.613 2.185 1.00 0.00 H new ATOM 66 N SER A 8 12.064 11.405 0.454 1.00 0.00 N ATOM 67 CA SER A 8 11.193 11.359 -0.714 1.00 0.00 C ATOM 68 C SER A 8 10.647 12.745 -1.041 1.00 0.00 C ATOM 69 O SER A 8 9.757 13.265 -0.368 1.00 0.00 O ATOM 70 CB SER A 8 10.036 10.387 -0.475 1.00 0.00 C ATOM 71 OG SER A 8 9.589 9.816 -1.693 1.00 0.00 O ATOM 0 H SER A 8 12.022 12.280 0.977 1.00 0.00 H new ATOM 0 HA SER A 8 11.783 11.011 -1.562 1.00 0.00 H new ATOM 0 HB2 SER A 8 10.355 9.597 0.205 1.00 0.00 H new ATOM 0 HB3 SER A 8 9.211 10.910 0.009 1.00 0.00 H new ATOM 0 HG SER A 8 8.609 9.822 -1.717 1.00 0.00 H new ATOM 77 N PRO A 9 11.194 13.361 -2.100 1.00 0.00 N ATOM 78 CA PRO A 9 10.779 14.696 -2.541 1.00 0.00 C ATOM 79 C PRO A 9 9.376 14.697 -3.140 1.00 0.00 C ATOM 80 O PRO A 9 8.712 15.733 -3.188 1.00 0.00 O ATOM 81 CB PRO A 9 11.816 15.056 -3.607 1.00 0.00 C ATOM 82 CG PRO A 9 12.305 13.745 -4.118 1.00 0.00 C ATOM 83 CD PRO A 9 12.260 12.801 -2.948 1.00 0.00 C ATOM 0 HA PRO A 9 10.736 15.404 -1.713 1.00 0.00 H new ATOM 0 HB2 PRO A 9 11.373 15.652 -4.405 1.00 0.00 H new ATOM 0 HB3 PRO A 9 12.630 15.645 -3.184 1.00 0.00 H new ATOM 0 HG2 PRO A 9 11.678 13.386 -4.934 1.00 0.00 H new ATOM 0 HG3 PRO A 9 13.318 13.832 -4.510 1.00 0.00 H new ATOM 0 HD2 PRO A 9 12.031 11.783 -3.262 1.00 0.00 H new ATOM 0 HD3 PRO A 9 13.215 12.766 -2.423 1.00 0.00 H new ATOM 91 N LEU A 10 8.932 13.532 -3.597 1.00 0.00 N ATOM 92 CA LEU A 10 7.607 13.399 -4.193 1.00 0.00 C ATOM 93 C LEU A 10 6.549 13.156 -3.122 1.00 0.00 C ATOM 94 O LEU A 10 5.510 13.814 -3.101 1.00 0.00 O ATOM 95 CB LEU A 10 7.595 12.253 -5.207 1.00 0.00 C ATOM 96 CG LEU A 10 8.606 12.357 -6.350 1.00 0.00 C ATOM 97 CD1 LEU A 10 8.655 11.058 -7.138 1.00 0.00 C ATOM 98 CD2 LEU A 10 8.260 13.525 -7.262 1.00 0.00 C ATOM 0 H LEU A 10 9.470 12.666 -3.567 1.00 0.00 H new ATOM 0 HA LEU A 10 7.371 14.332 -4.705 1.00 0.00 H new ATOM 0 HB2 LEU A 10 7.775 11.320 -4.673 1.00 0.00 H new ATOM 0 HB3 LEU A 10 6.596 12.186 -5.637 1.00 0.00 H new ATOM 0 HG LEU A 10 9.593 12.536 -5.923 1.00 0.00 H new ATOM 0 HD11 LEU A 10 9.380 11.150 -7.947 1.00 0.00 H new ATOM 0 HD12 LEU A 10 8.951 10.243 -6.478 1.00 0.00 H new ATOM 0 HD13 LEU A 10 7.670 10.848 -7.555 1.00 0.00 H new ATOM 0 HD21 LEU A 10 8.989 13.584 -8.070 1.00 0.00 H new ATOM 0 HD22 LEU A 10 7.265 13.377 -7.682 1.00 0.00 H new ATOM 0 HD23 LEU A 10 8.277 14.452 -6.689 1.00 0.00 H new ATOM 110 N GLY A 11 6.823 12.208 -2.231 1.00 0.00 N ATOM 111 CA GLY A 11 5.887 11.896 -1.167 1.00 0.00 C ATOM 112 C GLY A 11 6.016 10.467 -0.680 1.00 0.00 C ATOM 113 O GLY A 11 6.989 9.783 -0.997 1.00 0.00 O ATOM 0 H GLY A 11 7.677 11.650 -2.227 1.00 0.00 H new ATOM 0 HA2 GLY A 11 6.051 12.577 -0.332 1.00 0.00 H new ATOM 0 HA3 GLY A 11 4.870 12.065 -1.521 1.00 0.00 H new ATOM 117 N GLN A 12 5.034 10.015 0.093 1.00 0.00 N ATOM 118 CA GLN A 12 5.044 8.658 0.626 1.00 0.00 C ATOM 119 C GLN A 12 3.626 8.114 0.758 1.00 0.00 C ATOM 120 O GLN A 12 2.652 8.833 0.533 1.00 0.00 O ATOM 121 CB GLN A 12 5.744 8.627 1.986 1.00 0.00 C ATOM 122 CG GLN A 12 7.179 9.127 1.943 1.00 0.00 C ATOM 123 CD GLN A 12 7.720 9.467 3.318 1.00 0.00 C ATOM 124 OE1 GLN A 12 7.045 10.113 4.121 1.00 0.00 O ATOM 125 NE2 GLN A 12 8.943 9.032 3.598 1.00 0.00 N ATOM 0 H GLN A 12 4.221 10.569 0.364 1.00 0.00 H new ATOM 0 HA GLN A 12 5.592 8.025 -0.072 1.00 0.00 H new ATOM 0 HB2 GLN A 12 5.177 9.235 2.691 1.00 0.00 H new ATOM 0 HB3 GLN A 12 5.735 7.606 2.367 1.00 0.00 H new ATOM 0 HG2 GLN A 12 7.811 8.366 1.486 1.00 0.00 H new ATOM 0 HG3 GLN A 12 7.233 10.010 1.307 1.00 0.00 H new ATOM 0 HE21 GLN A 12 9.467 8.500 2.903 1.00 0.00 H new ATOM 0 HE22 GLN A 12 9.359 9.230 4.508 1.00 0.00 H new ATOM 134 N ILE A 13 3.517 6.841 1.124 1.00 0.00 N ATOM 135 CA ILE A 13 2.217 6.202 1.287 1.00 0.00 C ATOM 136 C ILE A 13 2.339 4.902 2.074 1.00 0.00 C ATOM 137 O ILE A 13 3.206 4.074 1.793 1.00 0.00 O ATOM 138 CB ILE A 13 1.562 5.905 -0.075 1.00 0.00 C ATOM 139 CG1 ILE A 13 0.120 5.431 0.121 1.00 0.00 C ATOM 140 CG2 ILE A 13 2.369 4.865 -0.836 1.00 0.00 C ATOM 141 CD1 ILE A 13 -0.666 5.338 -1.168 1.00 0.00 C ATOM 0 H ILE A 13 4.313 6.232 1.313 1.00 0.00 H new ATOM 0 HA ILE A 13 1.588 6.901 1.839 1.00 0.00 H new ATOM 0 HB ILE A 13 1.546 6.823 -0.662 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.130 4.453 0.602 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.390 6.115 0.799 1.00 0.00 H new ATOM 0 HG21 ILE A 13 1.893 4.666 -1.796 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.379 5.239 -1.002 1.00 0.00 H new ATOM 0 HG23 ILE A 13 2.414 3.943 -0.256 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.678 4.996 -0.953 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -0.707 6.319 -1.641 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.180 4.631 -1.841 1.00 0.00 H new ATOM 153 N GLN A 14 1.464 4.728 3.059 1.00 0.00 N ATOM 154 CA GLN A 14 1.473 3.528 3.886 1.00 0.00 C ATOM 155 C GLN A 14 0.408 2.539 3.422 1.00 0.00 C ATOM 156 O GLN A 14 -0.789 2.821 3.494 1.00 0.00 O ATOM 157 CB GLN A 14 1.243 3.892 5.354 1.00 0.00 C ATOM 158 CG GLN A 14 1.825 2.882 6.329 1.00 0.00 C ATOM 159 CD GLN A 14 1.636 3.293 7.776 1.00 0.00 C ATOM 160 OE1 GLN A 14 0.740 4.074 8.100 1.00 0.00 O ATOM 161 NE2 GLN A 14 2.480 2.768 8.656 1.00 0.00 N ATOM 0 H GLN A 14 0.740 5.403 3.304 1.00 0.00 H new ATOM 0 HA GLN A 14 2.450 3.056 3.785 1.00 0.00 H new ATOM 0 HB2 GLN A 14 1.683 4.870 5.551 1.00 0.00 H new ATOM 0 HB3 GLN A 14 0.172 3.983 5.534 1.00 0.00 H new ATOM 0 HG2 GLN A 14 1.354 1.912 6.166 1.00 0.00 H new ATOM 0 HG3 GLN A 14 2.889 2.758 6.126 1.00 0.00 H new ATOM 0 HE21 GLN A 14 3.208 2.125 8.344 1.00 0.00 H new ATOM 0 HE22 GLN A 14 2.401 3.008 9.644 1.00 0.00 H new ATOM 170 N LEU A 15 0.851 1.381 2.946 1.00 0.00 N ATOM 171 CA LEU A 15 -0.065 0.349 2.470 1.00 0.00 C ATOM 172 C LEU A 15 0.324 -1.020 3.019 1.00 0.00 C ATOM 173 O LEU A 15 1.499 -1.389 3.023 1.00 0.00 O ATOM 174 CB LEU A 15 -0.074 0.315 0.940 1.00 0.00 C ATOM 175 CG LEU A 15 -0.136 1.672 0.238 1.00 0.00 C ATOM 176 CD1 LEU A 15 0.553 1.604 -1.116 1.00 0.00 C ATOM 177 CD2 LEU A 15 -1.580 2.125 0.082 1.00 0.00 C ATOM 0 H LEU A 15 1.838 1.132 2.879 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.065 0.592 2.828 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.823 -0.205 0.603 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.928 -0.279 0.615 1.00 0.00 H new ATOM 0 HG LEU A 15 0.389 2.403 0.853 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.499 2.579 -1.601 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.598 1.324 -0.979 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.057 0.860 -1.740 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.606 3.092 -0.419 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.129 1.394 -0.512 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.042 2.214 1.065 1.00 0.00 H new ATOM 189 N THR A 16 -0.671 -1.771 3.480 1.00 0.00 N ATOM 190 CA THR A 16 -0.434 -3.100 4.030 1.00 0.00 C ATOM 191 C THR A 16 -0.716 -4.182 2.994 1.00 0.00 C ATOM 192 O THR A 16 -1.866 -4.409 2.618 1.00 0.00 O ATOM 193 CB THR A 16 -1.305 -3.356 5.274 1.00 0.00 C ATOM 194 OG1 THR A 16 -1.022 -2.378 6.281 1.00 0.00 O ATOM 195 CG2 THR A 16 -1.057 -4.750 5.830 1.00 0.00 C ATOM 0 H THR A 16 -1.649 -1.481 3.483 1.00 0.00 H new ATOM 0 HA THR A 16 0.617 -3.141 4.317 1.00 0.00 H new ATOM 0 HB THR A 16 -2.352 -3.280 4.979 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.193 -2.617 6.745 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.683 -4.908 6.708 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.302 -5.493 5.071 1.00 0.00 H new ATOM 0 HG23 THR A 16 -0.008 -4.849 6.110 1.00 0.00 H new ATOM 203 N ILE A 17 0.340 -4.847 2.538 1.00 0.00 N ATOM 204 CA ILE A 17 0.205 -5.907 1.547 1.00 0.00 C ATOM 205 C ILE A 17 0.287 -7.283 2.199 1.00 0.00 C ATOM 206 O ILE A 17 1.269 -7.607 2.866 1.00 0.00 O ATOM 207 CB ILE A 17 1.289 -5.801 0.458 1.00 0.00 C ATOM 208 CG1 ILE A 17 1.335 -4.382 -0.112 1.00 0.00 C ATOM 209 CG2 ILE A 17 1.030 -6.814 -0.647 1.00 0.00 C ATOM 210 CD1 ILE A 17 2.302 -4.224 -1.263 1.00 0.00 C ATOM 0 H ILE A 17 1.298 -4.670 2.839 1.00 0.00 H new ATOM 0 HA ILE A 17 -0.775 -5.785 1.085 1.00 0.00 H new ATOM 0 HB ILE A 17 2.257 -6.022 0.907 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.336 -4.101 -0.446 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.612 -3.689 0.682 1.00 0.00 H new ATOM 0 HG21 ILE A 17 1.804 -6.727 -1.409 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.044 -7.820 -0.229 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.056 -6.621 -1.096 1.00 0.00 H new ATOM 0 HD11 ILE A 17 2.282 -3.193 -1.616 1.00 0.00 H new ATOM 0 HD12 ILE A 17 3.309 -4.473 -0.929 1.00 0.00 H new ATOM 0 HD13 ILE A 17 2.013 -4.892 -2.075 1.00 0.00 H new ATOM 222 N ARG A 18 -0.751 -8.089 1.999 1.00 0.00 N ATOM 223 CA ARG A 18 -0.796 -9.431 2.567 1.00 0.00 C ATOM 224 C ARG A 18 -1.714 -10.336 1.750 1.00 0.00 C ATOM 225 O ARG A 18 -2.796 -9.925 1.331 1.00 0.00 O ATOM 226 CB ARG A 18 -1.275 -9.377 4.019 1.00 0.00 C ATOM 227 CG ARG A 18 -1.725 -10.724 4.561 1.00 0.00 C ATOM 228 CD ARG A 18 -3.198 -10.976 4.277 1.00 0.00 C ATOM 229 NE ARG A 18 -3.795 -11.887 5.249 1.00 0.00 N ATOM 230 CZ ARG A 18 -4.118 -11.532 6.487 1.00 0.00 C ATOM 231 NH1 ARG A 18 -3.903 -10.292 6.903 1.00 0.00 N ATOM 232 NH2 ARG A 18 -4.658 -12.419 7.313 1.00 0.00 N ATOM 0 H ARG A 18 -1.571 -7.836 1.448 1.00 0.00 H new ATOM 0 HA ARG A 18 0.212 -9.845 2.539 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -0.469 -8.994 4.645 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.101 -8.670 4.094 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -1.126 -11.516 4.112 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -1.549 -10.762 5.636 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.737 -10.029 4.290 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.308 -11.392 3.275 1.00 0.00 H new ATOM 0 HE ARG A 18 -3.974 -12.849 4.961 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.488 -9.607 6.271 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -4.152 -10.023 7.855 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -4.825 -13.374 6.997 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -4.906 -12.146 8.264 1.00 0.00 H new ATOM 246 N HIS A 19 -1.273 -11.570 1.527 1.00 0.00 N ATOM 247 CA HIS A 19 -2.055 -12.534 0.761 1.00 0.00 C ATOM 248 C HIS A 19 -2.259 -13.822 1.554 1.00 0.00 C ATOM 249 O HIS A 19 -1.305 -14.546 1.836 1.00 0.00 O ATOM 250 CB HIS A 19 -1.362 -12.844 -0.567 1.00 0.00 C ATOM 251 CG HIS A 19 -1.993 -13.972 -1.323 1.00 0.00 C ATOM 252 ND1 HIS A 19 -2.150 -15.237 -0.795 1.00 0.00 N ATOM 253 CD2 HIS A 19 -2.509 -14.021 -2.573 1.00 0.00 C ATOM 254 CE1 HIS A 19 -2.734 -16.015 -1.689 1.00 0.00 C ATOM 255 NE2 HIS A 19 -2.963 -15.301 -2.777 1.00 0.00 N ATOM 0 H HIS A 19 -0.379 -11.926 1.866 1.00 0.00 H new ATOM 0 HA HIS A 19 -3.032 -12.094 0.559 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -1.372 -11.950 -1.190 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -0.317 -13.087 -0.374 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -2.555 -13.205 -3.279 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -2.982 -17.057 -1.554 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -3.405 -15.645 -3.630 1.00 0.00 H new ATOM 263 N SER A 20 -3.509 -14.099 1.911 1.00 0.00 N ATOM 264 CA SER A 20 -3.837 -15.296 2.675 1.00 0.00 C ATOM 265 C SER A 20 -3.853 -16.528 1.775 1.00 0.00 C ATOM 266 O SER A 20 -4.540 -16.556 0.754 1.00 0.00 O ATOM 267 CB SER A 20 -5.196 -15.133 3.360 1.00 0.00 C ATOM 268 OG SER A 20 -5.706 -16.385 3.786 1.00 0.00 O ATOM 0 H SER A 20 -4.311 -13.511 1.683 1.00 0.00 H new ATOM 0 HA SER A 20 -3.069 -15.433 3.436 1.00 0.00 H new ATOM 0 HB2 SER A 20 -5.097 -14.466 4.217 1.00 0.00 H new ATOM 0 HB3 SER A 20 -5.900 -14.665 2.672 1.00 0.00 H new ATOM 0 HG SER A 20 -6.384 -16.243 4.480 1.00 0.00 H new ATOM 274 N SER A 21 -3.091 -17.546 2.163 1.00 0.00 N ATOM 275 CA SER A 21 -3.013 -18.780 1.390 1.00 0.00 C ATOM 276 C SER A 21 -4.344 -19.525 1.421 1.00 0.00 C ATOM 277 O SER A 21 -4.777 -20.085 0.414 1.00 0.00 O ATOM 278 CB SER A 21 -1.901 -19.678 1.934 1.00 0.00 C ATOM 279 OG SER A 21 -2.205 -20.132 3.241 1.00 0.00 O ATOM 0 H SER A 21 -2.519 -17.540 3.008 1.00 0.00 H new ATOM 0 HA SER A 21 -2.786 -18.518 0.356 1.00 0.00 H new ATOM 0 HB2 SER A 21 -1.763 -20.533 1.272 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.959 -19.129 1.946 1.00 0.00 H new ATOM 0 HG SER A 21 -1.479 -20.705 3.565 1.00 0.00 H new ATOM 285 N GLN A 22 -4.988 -19.527 2.584 1.00 0.00 N ATOM 286 CA GLN A 22 -6.269 -20.203 2.747 1.00 0.00 C ATOM 287 C GLN A 22 -7.367 -19.485 1.969 1.00 0.00 C ATOM 288 O GLN A 22 -8.144 -20.112 1.250 1.00 0.00 O ATOM 289 CB GLN A 22 -6.644 -20.281 4.228 1.00 0.00 C ATOM 290 CG GLN A 22 -8.038 -20.837 4.474 1.00 0.00 C ATOM 291 CD GLN A 22 -8.180 -22.277 4.022 1.00 0.00 C ATOM 292 OE1 GLN A 22 -7.934 -23.207 4.790 1.00 0.00 O ATOM 293 NE2 GLN A 22 -8.580 -22.468 2.771 1.00 0.00 N ATOM 0 H GLN A 22 -4.643 -19.068 3.427 1.00 0.00 H new ATOM 0 HA GLN A 22 -6.170 -21.214 2.351 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -5.916 -20.905 4.746 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -6.577 -19.284 4.664 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -8.270 -20.769 5.537 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -8.768 -20.222 3.949 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -8.773 -21.667 2.169 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -8.695 -23.416 2.411 1.00 0.00 H new ATOM 302 N ARG A 23 -7.425 -18.165 2.119 1.00 0.00 N ATOM 303 CA ARG A 23 -8.428 -17.361 1.432 1.00 0.00 C ATOM 304 C ARG A 23 -7.982 -17.033 0.010 1.00 0.00 C ATOM 305 O ARG A 23 -8.789 -16.629 -0.826 1.00 0.00 O ATOM 306 CB ARG A 23 -8.694 -16.069 2.206 1.00 0.00 C ATOM 307 CG ARG A 23 -9.795 -16.197 3.246 1.00 0.00 C ATOM 308 CD ARG A 23 -11.174 -16.111 2.611 1.00 0.00 C ATOM 309 NE ARG A 23 -12.163 -15.543 3.524 1.00 0.00 N ATOM 310 CZ ARG A 23 -13.471 -15.737 3.403 1.00 0.00 C ATOM 311 NH1 ARG A 23 -13.946 -16.482 2.414 1.00 0.00 N ATOM 312 NH2 ARG A 23 -14.308 -15.187 4.274 1.00 0.00 N ATOM 0 H ARG A 23 -6.789 -17.630 2.710 1.00 0.00 H new ATOM 0 HA ARG A 23 -9.349 -17.941 1.380 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -7.774 -15.756 2.700 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -8.962 -15.282 1.501 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -9.693 -17.147 3.770 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -9.687 -15.409 3.991 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -11.120 -15.501 1.709 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -11.494 -17.107 2.304 1.00 0.00 H new ATOM 0 HE ARG A 23 -11.831 -14.966 4.297 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -13.306 -16.908 1.744 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -14.951 -16.629 2.324 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -13.947 -14.615 5.037 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -15.313 -15.337 4.180 1.00 0.00 H new ATOM 326 N ASN A 24 -6.692 -17.211 -0.255 1.00 0.00 N ATOM 327 CA ASN A 24 -6.138 -16.932 -1.575 1.00 0.00 C ATOM 328 C ASN A 24 -6.631 -15.587 -2.100 1.00 0.00 C ATOM 329 O ASN A 24 -7.159 -15.496 -3.208 1.00 0.00 O ATOM 330 CB ASN A 24 -6.517 -18.044 -2.555 1.00 0.00 C ATOM 331 CG ASN A 24 -8.002 -18.353 -2.533 1.00 0.00 C ATOM 332 OD1 ASN A 24 -8.412 -19.222 -1.617 1.00 0.00 O flip ATOM 333 ND2 ASN A 24 -8.771 -17.815 -3.331 1.00 0.00 N flip ATOM 0 H ASN A 24 -6.011 -17.547 0.426 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.053 -16.890 -1.484 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -6.225 -17.751 -3.563 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -5.957 -18.947 -2.310 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -8.411 -17.153 -4.018 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -9.767 -18.032 -3.304 1.00 0.00 H new ATOM 340 N LYS A 25 -6.456 -14.544 -1.295 1.00 0.00 N ATOM 341 CA LYS A 25 -6.881 -13.203 -1.677 1.00 0.00 C ATOM 342 C LYS A 25 -5.804 -12.176 -1.343 1.00 0.00 C ATOM 343 O LYS A 25 -5.057 -12.335 -0.377 1.00 0.00 O ATOM 344 CB LYS A 25 -8.186 -12.837 -0.967 1.00 0.00 C ATOM 345 CG LYS A 25 -9.385 -13.636 -1.448 1.00 0.00 C ATOM 346 CD LYS A 25 -10.672 -12.838 -1.327 1.00 0.00 C ATOM 347 CE LYS A 25 -11.875 -13.748 -1.126 1.00 0.00 C ATOM 348 NZ LYS A 25 -13.108 -12.975 -0.810 1.00 0.00 N ATOM 0 H LYS A 25 -6.022 -14.602 -0.374 1.00 0.00 H new ATOM 0 HA LYS A 25 -7.046 -13.195 -2.754 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.063 -12.992 0.105 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.385 -11.775 -1.114 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.234 -13.930 -2.487 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.469 -14.554 -0.866 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.594 -12.145 -0.489 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.815 -12.237 -2.225 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.038 -14.339 -2.027 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.669 -14.449 -0.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.905 -13.630 -0.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.962 -12.430 0.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.319 -12.324 -1.593 1.00 0.00 H new ATOM 362 N LEU A 26 -5.729 -11.121 -2.148 1.00 0.00 N ATOM 363 CA LEU A 26 -4.744 -10.066 -1.937 1.00 0.00 C ATOM 364 C LEU A 26 -5.388 -8.839 -1.300 1.00 0.00 C ATOM 365 O LEU A 26 -6.184 -8.145 -1.933 1.00 0.00 O ATOM 366 CB LEU A 26 -4.088 -9.681 -3.265 1.00 0.00 C ATOM 367 CG LEU A 26 -3.020 -8.589 -3.194 1.00 0.00 C ATOM 368 CD1 LEU A 26 -1.691 -9.170 -2.739 1.00 0.00 C ATOM 369 CD2 LEU A 26 -2.871 -7.901 -4.543 1.00 0.00 C ATOM 0 H LEU A 26 -6.339 -10.974 -2.952 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.981 -10.446 -1.258 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.637 -10.574 -3.697 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.869 -9.354 -3.952 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.336 -7.845 -2.462 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.944 -8.378 -2.695 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.808 -9.615 -1.751 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.367 -9.935 -3.445 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.107 -7.127 -4.474 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.578 -8.634 -5.295 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.821 -7.449 -4.828 1.00 0.00 H new ATOM 381 N ILE A 27 -5.035 -8.577 -0.046 1.00 0.00 N ATOM 382 CA ILE A 27 -5.577 -7.431 0.675 1.00 0.00 C ATOM 383 C ILE A 27 -4.595 -6.265 0.670 1.00 0.00 C ATOM 384 O ILE A 27 -3.396 -6.446 0.886 1.00 0.00 O ATOM 385 CB ILE A 27 -5.918 -7.794 2.132 1.00 0.00 C ATOM 386 CG1 ILE A 27 -7.111 -8.751 2.176 1.00 0.00 C ATOM 387 CG2 ILE A 27 -6.212 -6.536 2.936 1.00 0.00 C ATOM 388 CD1 ILE A 27 -6.731 -10.200 1.961 1.00 0.00 C ATOM 0 H ILE A 27 -4.377 -9.142 0.491 1.00 0.00 H new ATOM 0 HA ILE A 27 -6.491 -7.136 0.159 1.00 0.00 H new ATOM 0 HB ILE A 27 -5.058 -8.294 2.577 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -7.609 -8.654 3.141 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -7.832 -8.456 1.414 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -6.451 -6.809 3.964 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.337 -5.886 2.927 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -7.058 -6.011 2.493 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -7.626 -10.821 2.005 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -6.260 -10.311 0.985 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -6.034 -10.512 2.738 1.00 0.00 H new ATOM 400 N VAL A 28 -5.111 -5.064 0.424 1.00 0.00 N ATOM 401 CA VAL A 28 -4.281 -3.866 0.394 1.00 0.00 C ATOM 402 C VAL A 28 -4.991 -2.689 1.050 1.00 0.00 C ATOM 403 O VAL A 28 -5.988 -2.184 0.533 1.00 0.00 O ATOM 404 CB VAL A 28 -3.900 -3.483 -1.049 1.00 0.00 C ATOM 405 CG1 VAL A 28 -2.964 -2.284 -1.054 1.00 0.00 C ATOM 406 CG2 VAL A 28 -3.268 -4.667 -1.765 1.00 0.00 C ATOM 0 H VAL A 28 -6.101 -4.896 0.243 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.374 -4.096 0.953 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.808 -3.206 -1.585 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.706 -2.028 -2.082 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.458 -1.435 -0.582 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.056 -2.529 -0.502 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.005 -4.379 -2.783 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.369 -4.977 -1.232 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.976 -5.495 -1.794 1.00 0.00 H new ATOM 416 N VAL A 29 -4.472 -2.254 2.194 1.00 0.00 N ATOM 417 CA VAL A 29 -5.056 -1.133 2.922 1.00 0.00 C ATOM 418 C VAL A 29 -4.349 0.173 2.579 1.00 0.00 C ATOM 419 O VAL A 29 -3.162 0.182 2.250 1.00 0.00 O ATOM 420 CB VAL A 29 -4.988 -1.356 4.444 1.00 0.00 C ATOM 421 CG1 VAL A 29 -5.856 -0.342 5.172 1.00 0.00 C ATOM 422 CG2 VAL A 29 -5.406 -2.777 4.794 1.00 0.00 C ATOM 0 H VAL A 29 -3.648 -2.661 2.637 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.101 -1.068 2.618 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.957 -1.215 4.768 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -5.795 -0.516 6.246 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -5.506 0.665 4.947 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -6.891 -0.448 4.846 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -5.352 -2.917 5.874 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -6.428 -2.949 4.457 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.738 -3.484 4.303 1.00 0.00 H new ATOM 432 N VAL A 30 -5.085 1.277 2.658 1.00 0.00 N ATOM 433 CA VAL A 30 -4.529 2.591 2.357 1.00 0.00 C ATOM 434 C VAL A 30 -4.896 3.603 3.436 1.00 0.00 C ATOM 435 O VAL A 30 -5.864 4.351 3.298 1.00 0.00 O ATOM 436 CB VAL A 30 -5.021 3.110 0.993 1.00 0.00 C ATOM 437 CG1 VAL A 30 -4.133 4.242 0.500 1.00 0.00 C ATOM 438 CG2 VAL A 30 -5.069 1.978 -0.022 1.00 0.00 C ATOM 0 H VAL A 30 -6.069 1.288 2.928 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.446 2.476 2.324 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.031 3.500 1.116 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.496 4.596 -0.465 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.155 5.061 1.219 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.110 3.882 0.393 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.419 2.363 -0.980 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.072 1.555 -0.143 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.751 1.203 0.329 1.00 0.00 H new ATOM 448 N HIS A 31 -4.115 3.621 4.512 1.00 0.00 N ATOM 449 CA HIS A 31 -4.357 4.543 5.616 1.00 0.00 C ATOM 450 C HIS A 31 -4.502 5.974 5.107 1.00 0.00 C ATOM 451 O HIS A 31 -5.606 6.516 5.057 1.00 0.00 O ATOM 452 CB HIS A 31 -3.218 4.465 6.633 1.00 0.00 C ATOM 453 CG HIS A 31 -3.042 3.103 7.231 1.00 0.00 C ATOM 454 ND1 HIS A 31 -3.839 2.618 8.246 1.00 0.00 N ATOM 455 CD2 HIS A 31 -2.154 2.121 6.950 1.00 0.00 C ATOM 456 CE1 HIS A 31 -3.448 1.397 8.565 1.00 0.00 C ATOM 457 NE2 HIS A 31 -2.427 1.071 7.793 1.00 0.00 N ATOM 0 H HIS A 31 -3.310 3.008 4.643 1.00 0.00 H new ATOM 0 HA HIS A 31 -5.288 4.252 6.102 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -2.288 4.763 6.149 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -3.405 5.182 7.432 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -1.376 2.156 6.202 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -3.888 0.772 9.327 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -1.923 0.184 7.819 1.00 0.00 H new ATOM 465 N ALA A 32 -3.381 6.580 4.731 1.00 0.00 N ATOM 466 CA ALA A 32 -3.384 7.947 4.225 1.00 0.00 C ATOM 467 C ALA A 32 -2.004 8.346 3.713 1.00 0.00 C ATOM 468 O ALA A 32 -0.995 7.753 4.095 1.00 0.00 O ATOM 469 CB ALA A 32 -3.846 8.910 5.309 1.00 0.00 C ATOM 0 H ALA A 32 -2.459 6.146 4.767 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.081 7.997 3.389 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.843 9.927 4.917 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.855 8.645 5.625 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.171 8.848 6.162 1.00 0.00 H new ATOM 475 N CYS A 33 -1.968 9.353 2.848 1.00 0.00 N ATOM 476 CA CYS A 33 -0.711 9.830 2.282 1.00 0.00 C ATOM 477 C CYS A 33 -0.305 11.161 2.906 1.00 0.00 C ATOM 478 O CYS A 33 -1.107 11.817 3.571 1.00 0.00 O ATOM 479 CB CYS A 33 -0.835 9.981 0.765 1.00 0.00 C ATOM 480 SG CYS A 33 -1.385 8.482 -0.083 1.00 0.00 S ATOM 0 H CYS A 33 -2.794 9.855 2.523 1.00 0.00 H new ATOM 0 HA CYS A 33 0.062 9.094 2.504 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.536 10.787 0.547 1.00 0.00 H new ATOM 0 HB3 CYS A 33 0.132 10.281 0.360 1.00 0.00 H new ATOM 0 HG CYS A 33 -1.461 8.709 -1.361 1.00 0.00 H new ATOM 486 N ARG A 34 0.946 11.554 2.688 1.00 0.00 N ATOM 487 CA ARG A 34 1.460 12.806 3.231 1.00 0.00 C ATOM 488 C ARG A 34 2.588 13.353 2.362 1.00 0.00 C ATOM 489 O ARG A 34 3.144 12.640 1.528 1.00 0.00 O ATOM 490 CB ARG A 34 1.959 12.598 4.662 1.00 0.00 C ATOM 491 CG ARG A 34 3.147 11.656 4.763 1.00 0.00 C ATOM 492 CD ARG A 34 3.484 11.336 6.211 1.00 0.00 C ATOM 493 NE ARG A 34 4.789 10.692 6.340 1.00 0.00 N ATOM 494 CZ ARG A 34 5.203 10.087 7.447 1.00 0.00 C ATOM 495 NH1 ARG A 34 4.419 10.043 8.516 1.00 0.00 N ATOM 496 NH2 ARG A 34 6.403 9.523 7.487 1.00 0.00 N ATOM 0 H ARG A 34 1.622 11.023 2.139 1.00 0.00 H new ATOM 0 HA ARG A 34 0.646 13.531 3.239 1.00 0.00 H new ATOM 0 HB2 ARG A 34 2.235 13.564 5.085 1.00 0.00 H new ATOM 0 HB3 ARG A 34 1.143 12.206 5.269 1.00 0.00 H new ATOM 0 HG2 ARG A 34 2.927 10.733 4.227 1.00 0.00 H new ATOM 0 HG3 ARG A 34 4.013 12.107 4.278 1.00 0.00 H new ATOM 0 HD2 ARG A 34 3.474 12.255 6.797 1.00 0.00 H new ATOM 0 HD3 ARG A 34 2.715 10.684 6.627 1.00 0.00 H new ATOM 0 HE ARG A 34 5.416 10.708 5.536 1.00 0.00 H new ATOM 0 HH11 ARG A 34 3.495 10.475 8.489 1.00 0.00 H new ATOM 0 HH12 ARG A 34 4.740 9.577 9.365 1.00 0.00 H new ATOM 0 HH21 ARG A 34 7.009 9.554 6.667 1.00 0.00 H new ATOM 0 HH22 ARG A 34 6.720 9.058 8.338 1.00 0.00 H new ATOM 510 N ASN A 35 2.920 14.624 2.564 1.00 0.00 N ATOM 511 CA ASN A 35 3.981 15.268 1.798 1.00 0.00 C ATOM 512 C ASN A 35 3.766 15.073 0.300 1.00 0.00 C ATOM 513 O ASN A 35 4.652 14.593 -0.409 1.00 0.00 O ATOM 514 CB ASN A 35 5.345 14.707 2.205 1.00 0.00 C ATOM 515 CG ASN A 35 5.793 15.207 3.565 1.00 0.00 C ATOM 516 OD1 ASN A 35 6.723 16.007 3.669 1.00 0.00 O ATOM 517 ND2 ASN A 35 5.132 14.735 4.616 1.00 0.00 N ATOM 0 H ASN A 35 2.470 15.228 3.251 1.00 0.00 H new ATOM 0 HA ASN A 35 3.955 16.336 2.015 1.00 0.00 H new ATOM 0 HB2 ASN A 35 5.298 13.618 2.219 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.087 14.984 1.456 1.00 0.00 H new ATOM 0 HD21 ASN A 35 5.389 15.034 5.557 1.00 0.00 H new ATOM 0 HD22 ASN A 35 4.367 14.073 4.482 1.00 0.00 H new ATOM 524 N LEU A 36 2.584 15.449 -0.176 1.00 0.00 N ATOM 525 CA LEU A 36 2.251 15.316 -1.590 1.00 0.00 C ATOM 526 C LEU A 36 2.228 16.680 -2.274 1.00 0.00 C ATOM 527 O LEU A 36 1.241 17.412 -2.187 1.00 0.00 O ATOM 528 CB LEU A 36 0.895 14.628 -1.753 1.00 0.00 C ATOM 529 CG LEU A 36 0.852 13.139 -1.407 1.00 0.00 C ATOM 530 CD1 LEU A 36 -0.583 12.637 -1.390 1.00 0.00 C ATOM 531 CD2 LEU A 36 1.688 12.338 -2.395 1.00 0.00 C ATOM 0 H LEU A 36 1.840 15.848 0.396 1.00 0.00 H new ATOM 0 HA LEU A 36 3.020 14.705 -2.063 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.169 15.147 -1.127 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.570 14.750 -2.786 1.00 0.00 H new ATOM 0 HG LEU A 36 1.274 13.004 -0.411 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.594 11.576 -1.142 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.153 13.190 -0.644 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.032 12.785 -2.372 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.646 11.281 -2.134 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.295 12.479 -3.402 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.722 12.680 -2.358 1.00 0.00 H new ATOM 543 N ILE A 37 3.319 17.013 -2.954 1.00 0.00 N ATOM 544 CA ILE A 37 3.422 18.287 -3.656 1.00 0.00 C ATOM 545 C ILE A 37 2.274 18.465 -4.644 1.00 0.00 C ATOM 546 O ILE A 37 1.831 17.506 -5.274 1.00 0.00 O ATOM 547 CB ILE A 37 4.758 18.407 -4.411 1.00 0.00 C ATOM 548 CG1 ILE A 37 4.846 17.344 -5.508 1.00 0.00 C ATOM 549 CG2 ILE A 37 5.927 18.277 -3.446 1.00 0.00 C ATOM 550 CD1 ILE A 37 4.268 17.793 -6.832 1.00 0.00 C ATOM 0 H ILE A 37 4.144 16.419 -3.034 1.00 0.00 H new ATOM 0 HA ILE A 37 3.371 19.069 -2.899 1.00 0.00 H new ATOM 0 HB ILE A 37 4.806 19.391 -4.878 1.00 0.00 H new ATOM 0 HG12 ILE A 37 5.890 17.067 -5.652 1.00 0.00 H new ATOM 0 HG13 ILE A 37 4.322 16.448 -5.177 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.864 18.364 -3.996 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.871 19.067 -2.698 1.00 0.00 H new ATOM 0 HG23 ILE A 37 5.885 17.306 -2.952 1.00 0.00 H new ATOM 0 HD11 ILE A 37 4.364 16.990 -7.562 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.215 18.042 -6.703 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.808 18.671 -7.186 1.00 0.00 H new ATOM 562 N ALA A 38 1.799 19.699 -4.774 1.00 0.00 N ATOM 563 CA ALA A 38 0.706 20.004 -5.689 1.00 0.00 C ATOM 564 C ALA A 38 1.204 20.786 -6.899 1.00 0.00 C ATOM 565 O ALA A 38 2.036 21.685 -6.770 1.00 0.00 O ATOM 566 CB ALA A 38 -0.385 20.782 -4.967 1.00 0.00 C ATOM 0 H ALA A 38 2.154 20.504 -4.257 1.00 0.00 H new ATOM 0 HA ALA A 38 0.290 19.062 -6.045 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.195 21.003 -5.662 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -0.770 20.186 -4.139 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.027 21.715 -4.582 1.00 0.00 H new ATOM 572 N PHE A 39 0.690 20.440 -8.074 1.00 0.00 N ATOM 573 CA PHE A 39 1.085 21.109 -9.308 1.00 0.00 C ATOM 574 C PHE A 39 0.922 22.621 -9.183 1.00 0.00 C ATOM 575 O PHE A 39 1.601 23.388 -9.865 1.00 0.00 O ATOM 576 CB PHE A 39 0.252 20.591 -10.483 1.00 0.00 C ATOM 577 CG PHE A 39 0.980 20.630 -11.797 1.00 0.00 C ATOM 578 CD1 PHE A 39 1.776 19.568 -12.194 1.00 0.00 C ATOM 579 CD2 PHE A 39 0.868 21.729 -12.633 1.00 0.00 C ATOM 580 CE1 PHE A 39 2.446 19.600 -13.403 1.00 0.00 C ATOM 581 CE2 PHE A 39 1.536 21.766 -13.843 1.00 0.00 C ATOM 582 CZ PHE A 39 2.327 20.702 -14.227 1.00 0.00 C ATOM 0 H PHE A 39 -0.001 19.700 -8.198 1.00 0.00 H new ATOM 0 HA PHE A 39 2.137 20.888 -9.491 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.054 19.565 -10.277 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.658 21.186 -10.563 1.00 0.00 H new ATOM 0 HD1 PHE A 39 1.874 18.705 -11.552 1.00 0.00 H new ATOM 0 HD2 PHE A 39 0.253 22.565 -12.337 1.00 0.00 H new ATOM 0 HE1 PHE A 39 3.061 18.765 -13.703 1.00 0.00 H new ATOM 0 HE2 PHE A 39 1.439 22.627 -14.487 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.852 20.731 -15.170 1.00 0.00 H new ATOM 592 N SER A 40 0.017 23.042 -8.306 1.00 0.00 N ATOM 593 CA SER A 40 -0.239 24.462 -8.093 1.00 0.00 C ATOM 594 C SER A 40 -0.646 24.730 -6.647 1.00 0.00 C ATOM 595 O SER A 40 -1.648 24.203 -6.165 1.00 0.00 O ATOM 596 CB SER A 40 -1.335 24.952 -9.042 1.00 0.00 C ATOM 597 OG SER A 40 -1.626 26.321 -8.820 1.00 0.00 O ATOM 0 H SER A 40 -0.552 22.420 -7.731 1.00 0.00 H new ATOM 0 HA SER A 40 0.682 25.007 -8.300 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.018 24.807 -10.075 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.237 24.357 -8.899 1.00 0.00 H new ATOM 0 HG SER A 40 -2.328 26.611 -9.439 1.00 0.00 H new ATOM 603 N GLU A 41 0.141 25.553 -5.961 1.00 0.00 N ATOM 604 CA GLU A 41 -0.136 25.890 -4.570 1.00 0.00 C ATOM 605 C GLU A 41 -1.639 25.978 -4.320 1.00 0.00 C ATOM 606 O GLU A 41 -2.148 25.436 -3.339 1.00 0.00 O ATOM 607 CB GLU A 41 0.531 27.217 -4.201 1.00 0.00 C ATOM 608 CG GLU A 41 0.379 27.589 -2.735 1.00 0.00 C ATOM 609 CD GLU A 41 1.170 26.678 -1.817 1.00 0.00 C ATOM 610 OE1 GLU A 41 2.163 26.081 -2.284 1.00 0.00 O ATOM 611 OE2 GLU A 41 0.796 26.561 -0.631 1.00 0.00 O ATOM 0 H GLU A 41 0.974 25.998 -6.346 1.00 0.00 H new ATOM 0 HA GLU A 41 0.274 25.098 -3.943 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.592 27.161 -4.445 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.105 28.011 -4.814 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.706 28.618 -2.589 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.675 27.548 -2.461 1.00 0.00 H new ATOM 618 N ASP A 42 -2.342 26.663 -5.214 1.00 0.00 N ATOM 619 CA ASP A 42 -3.787 26.822 -5.092 1.00 0.00 C ATOM 620 C ASP A 42 -4.421 25.574 -4.486 1.00 0.00 C ATOM 621 O ASP A 42 -5.238 25.662 -3.571 1.00 0.00 O ATOM 622 CB ASP A 42 -4.407 27.112 -6.459 1.00 0.00 C ATOM 623 CG ASP A 42 -4.230 28.558 -6.880 1.00 0.00 C ATOM 624 OD1 ASP A 42 -4.096 29.422 -5.990 1.00 0.00 O ATOM 625 OD2 ASP A 42 -4.226 28.825 -8.100 1.00 0.00 O ATOM 0 H ASP A 42 -1.935 27.117 -6.032 1.00 0.00 H new ATOM 0 HA ASP A 42 -3.981 27.665 -4.429 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -3.953 26.461 -7.206 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.470 26.872 -6.431 1.00 0.00 H new ATOM 630 N GLY A 43 -4.039 24.411 -5.005 1.00 0.00 N ATOM 631 CA GLY A 43 -4.581 23.161 -4.504 1.00 0.00 C ATOM 632 C GLY A 43 -4.740 22.120 -5.594 1.00 0.00 C ATOM 633 O GLY A 43 -4.859 22.457 -6.772 1.00 0.00 O ATOM 0 H GLY A 43 -3.364 24.312 -5.763 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.926 22.770 -3.726 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -5.550 23.348 -4.041 1.00 0.00 H new ATOM 637 N SER A 44 -4.741 20.850 -5.202 1.00 0.00 N ATOM 638 CA SER A 44 -4.881 19.755 -6.155 1.00 0.00 C ATOM 639 C SER A 44 -5.775 18.655 -5.591 1.00 0.00 C ATOM 640 O SER A 44 -6.154 18.687 -4.420 1.00 0.00 O ATOM 641 CB SER A 44 -3.508 19.181 -6.510 1.00 0.00 C ATOM 642 OG SER A 44 -2.744 20.112 -7.257 1.00 0.00 O ATOM 0 H SER A 44 -4.646 20.554 -4.231 1.00 0.00 H new ATOM 0 HA SER A 44 -5.346 20.149 -7.058 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.974 18.916 -5.597 1.00 0.00 H new ATOM 0 HB3 SER A 44 -3.632 18.263 -7.085 1.00 0.00 H new ATOM 0 HG SER A 44 -1.870 19.722 -7.470 1.00 0.00 H new ATOM 648 N ASP A 45 -6.108 17.683 -6.433 1.00 0.00 N ATOM 649 CA ASP A 45 -6.956 16.570 -6.020 1.00 0.00 C ATOM 650 C ASP A 45 -6.200 15.248 -6.111 1.00 0.00 C ATOM 651 O ASP A 45 -6.305 14.511 -7.091 1.00 0.00 O ATOM 652 CB ASP A 45 -8.215 16.513 -6.886 1.00 0.00 C ATOM 653 CG ASP A 45 -8.701 17.890 -7.293 1.00 0.00 C ATOM 654 OD1 ASP A 45 -8.565 18.831 -6.483 1.00 0.00 O ATOM 655 OD2 ASP A 45 -9.218 18.027 -8.422 1.00 0.00 O ATOM 0 H ASP A 45 -5.804 17.643 -7.406 1.00 0.00 H new ATOM 0 HA ASP A 45 -7.246 16.731 -4.982 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -8.011 15.924 -7.780 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -9.005 15.999 -6.339 1.00 0.00 H new ATOM 660 N PRO A 46 -5.420 14.939 -5.064 1.00 0.00 N ATOM 661 CA PRO A 46 -4.631 13.705 -5.002 1.00 0.00 C ATOM 662 C PRO A 46 -5.505 12.466 -4.841 1.00 0.00 C ATOM 663 O PRO A 46 -6.504 12.488 -4.121 1.00 0.00 O ATOM 664 CB PRO A 46 -3.755 13.906 -3.764 1.00 0.00 C ATOM 665 CG PRO A 46 -4.517 14.862 -2.912 1.00 0.00 C ATOM 666 CD PRO A 46 -5.248 15.771 -3.861 1.00 0.00 C ATOM 0 HA PRO A 46 -4.065 13.536 -5.918 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -3.582 12.964 -3.244 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -2.777 14.307 -4.032 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -5.215 14.334 -2.262 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -3.847 15.429 -2.267 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.207 16.091 -3.453 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -4.675 16.673 -4.075 1.00 0.00 H new ATOM 674 N TYR A 47 -5.123 11.387 -5.515 1.00 0.00 N ATOM 675 CA TYR A 47 -5.874 10.139 -5.448 1.00 0.00 C ATOM 676 C TYR A 47 -4.961 8.940 -5.689 1.00 0.00 C ATOM 677 O TYR A 47 -4.073 8.983 -6.540 1.00 0.00 O ATOM 678 CB TYR A 47 -7.008 10.145 -6.475 1.00 0.00 C ATOM 679 CG TYR A 47 -6.590 9.650 -7.841 1.00 0.00 C ATOM 680 CD1 TYR A 47 -5.989 10.504 -8.757 1.00 0.00 C ATOM 681 CD2 TYR A 47 -6.795 8.327 -8.215 1.00 0.00 C ATOM 682 CE1 TYR A 47 -5.607 10.056 -10.007 1.00 0.00 C ATOM 683 CE2 TYR A 47 -6.414 7.870 -9.462 1.00 0.00 C ATOM 684 CZ TYR A 47 -5.821 8.739 -10.354 1.00 0.00 C ATOM 685 OH TYR A 47 -5.440 8.289 -11.598 1.00 0.00 O ATOM 0 H TYR A 47 -4.298 11.351 -6.114 1.00 0.00 H new ATOM 0 HA TYR A 47 -6.299 10.054 -4.448 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -7.824 9.523 -6.106 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -7.397 11.159 -6.569 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -5.817 11.536 -8.488 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -7.260 7.645 -7.519 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -5.143 10.734 -10.708 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -6.579 6.839 -9.737 1.00 0.00 H new ATOM 0 HH TYR A 47 -4.912 7.469 -11.502 1.00 0.00 H new ATOM 695 N VAL A 48 -5.187 7.871 -4.932 1.00 0.00 N ATOM 696 CA VAL A 48 -4.387 6.659 -5.064 1.00 0.00 C ATOM 697 C VAL A 48 -4.998 5.705 -6.084 1.00 0.00 C ATOM 698 O VAL A 48 -6.214 5.683 -6.279 1.00 0.00 O ATOM 699 CB VAL A 48 -4.249 5.929 -3.714 1.00 0.00 C ATOM 700 CG1 VAL A 48 -3.544 4.594 -3.899 1.00 0.00 C ATOM 701 CG2 VAL A 48 -3.505 6.799 -2.712 1.00 0.00 C ATOM 0 H VAL A 48 -5.917 7.820 -4.221 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.399 6.967 -5.406 1.00 0.00 H new ATOM 0 HB VAL A 48 -5.247 5.735 -3.322 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.455 4.093 -2.935 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -4.121 3.969 -4.581 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -2.550 4.762 -4.313 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.417 6.268 -1.764 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -2.510 7.026 -3.095 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.055 7.728 -2.558 1.00 0.00 H new ATOM 711 N ARG A 49 -4.147 4.918 -6.733 1.00 0.00 N ATOM 712 CA ARG A 49 -4.603 3.961 -7.735 1.00 0.00 C ATOM 713 C ARG A 49 -3.973 2.591 -7.505 1.00 0.00 C ATOM 714 O ARG A 49 -2.843 2.489 -7.028 1.00 0.00 O ATOM 715 CB ARG A 49 -4.262 4.461 -9.140 1.00 0.00 C ATOM 716 CG ARG A 49 -4.926 3.661 -10.249 1.00 0.00 C ATOM 717 CD ARG A 49 -5.184 4.519 -11.478 1.00 0.00 C ATOM 718 NE ARG A 49 -6.477 5.195 -11.411 1.00 0.00 N ATOM 719 CZ ARG A 49 -6.978 5.923 -12.403 1.00 0.00 C ATOM 720 NH1 ARG A 49 -6.298 6.067 -13.532 1.00 0.00 N ATOM 721 NH2 ARG A 49 -8.161 6.507 -12.267 1.00 0.00 N ATOM 0 H ARG A 49 -3.138 4.924 -6.583 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.685 3.864 -7.643 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -4.562 5.505 -9.227 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.181 4.427 -9.276 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -4.292 2.817 -10.520 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -5.868 3.249 -9.888 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -4.391 5.261 -11.575 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -5.147 3.894 -12.371 1.00 0.00 H new ATOM 0 HE ARG A 49 -7.025 5.103 -10.556 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -5.388 5.618 -13.640 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -6.685 6.626 -14.292 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -8.687 6.397 -11.400 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -8.545 7.066 -13.029 1.00 0.00 H new ATOM 735 N MET A 50 -4.712 1.541 -7.846 1.00 0.00 N ATOM 736 CA MET A 50 -4.225 0.176 -7.677 1.00 0.00 C ATOM 737 C MET A 50 -4.568 -0.678 -8.894 1.00 0.00 C ATOM 738 O MET A 50 -5.738 -0.836 -9.244 1.00 0.00 O ATOM 739 CB MET A 50 -4.823 -0.449 -6.416 1.00 0.00 C ATOM 740 CG MET A 50 -4.091 -0.063 -5.141 1.00 0.00 C ATOM 741 SD MET A 50 -4.579 -1.070 -3.727 1.00 0.00 S ATOM 742 CE MET A 50 -6.263 -0.511 -3.479 1.00 0.00 C ATOM 0 H MET A 50 -5.650 1.608 -8.241 1.00 0.00 H new ATOM 0 HA MET A 50 -3.140 0.214 -7.576 1.00 0.00 H new ATOM 0 HB2 MET A 50 -5.867 -0.148 -6.331 1.00 0.00 H new ATOM 0 HB3 MET A 50 -4.811 -1.534 -6.518 1.00 0.00 H new ATOM 0 HG2 MET A 50 -3.017 -0.162 -5.299 1.00 0.00 H new ATOM 0 HG3 MET A 50 -4.285 0.986 -4.919 1.00 0.00 H new ATOM 0 HE1 MET A 50 -6.371 -0.119 -2.468 1.00 0.00 H new ATOM 0 HE2 MET A 50 -6.496 0.273 -4.199 1.00 0.00 H new ATOM 0 HE3 MET A 50 -6.948 -1.347 -3.619 1.00 0.00 H new ATOM 752 N TYR A 51 -3.541 -1.226 -9.534 1.00 0.00 N ATOM 753 CA TYR A 51 -3.734 -2.062 -10.713 1.00 0.00 C ATOM 754 C TYR A 51 -2.847 -3.302 -10.653 1.00 0.00 C ATOM 755 O TYR A 51 -1.623 -3.209 -10.743 1.00 0.00 O ATOM 756 CB TYR A 51 -3.431 -1.266 -11.984 1.00 0.00 C ATOM 757 CG TYR A 51 -4.587 -0.412 -12.453 1.00 0.00 C ATOM 758 CD1 TYR A 51 -5.061 0.638 -11.677 1.00 0.00 C ATOM 759 CD2 TYR A 51 -5.207 -0.656 -13.672 1.00 0.00 C ATOM 760 CE1 TYR A 51 -6.117 1.421 -12.101 1.00 0.00 C ATOM 761 CE2 TYR A 51 -6.263 0.122 -14.106 1.00 0.00 C ATOM 762 CZ TYR A 51 -6.714 1.159 -13.317 1.00 0.00 C ATOM 763 OH TYR A 51 -7.767 1.936 -13.744 1.00 0.00 O ATOM 0 H TYR A 51 -2.567 -1.106 -9.256 1.00 0.00 H new ATOM 0 HA TYR A 51 -4.776 -2.383 -10.733 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.567 -0.626 -11.805 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -3.155 -1.958 -12.779 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -4.595 0.846 -10.725 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -4.857 -1.469 -14.292 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -6.473 2.233 -11.485 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -6.732 -0.081 -15.057 1.00 0.00 H new ATOM 0 HH TYR A 51 -8.083 1.610 -14.613 1.00 0.00 H new ATOM 773 N LEU A 52 -3.475 -4.463 -10.501 1.00 0.00 N ATOM 774 CA LEU A 52 -2.745 -5.724 -10.429 1.00 0.00 C ATOM 775 C LEU A 52 -2.087 -6.049 -11.766 1.00 0.00 C ATOM 776 O LEU A 52 -2.708 -6.644 -12.648 1.00 0.00 O ATOM 777 CB LEU A 52 -3.686 -6.859 -10.022 1.00 0.00 C ATOM 778 CG LEU A 52 -3.039 -8.230 -9.827 1.00 0.00 C ATOM 779 CD1 LEU A 52 -2.077 -8.204 -8.648 1.00 0.00 C ATOM 780 CD2 LEU A 52 -4.104 -9.299 -9.625 1.00 0.00 C ATOM 0 H LEU A 52 -4.488 -4.557 -10.425 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.964 -5.620 -9.676 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.181 -6.578 -9.093 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -4.462 -6.951 -10.782 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.473 -8.474 -10.726 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.626 -9.189 -8.525 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.295 -7.467 -8.833 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.620 -7.937 -7.741 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.625 -10.268 -9.488 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.697 -9.059 -8.743 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.753 -9.336 -10.500 1.00 0.00 H new ATOM 792 N LEU A 53 -0.826 -5.657 -11.910 1.00 0.00 N ATOM 793 CA LEU A 53 -0.082 -5.909 -13.139 1.00 0.00 C ATOM 794 C LEU A 53 0.231 -7.394 -13.292 1.00 0.00 C ATOM 795 O LEU A 53 0.313 -8.140 -12.316 1.00 0.00 O ATOM 796 CB LEU A 53 1.216 -5.099 -13.147 1.00 0.00 C ATOM 797 CG LEU A 53 1.065 -3.589 -13.334 1.00 0.00 C ATOM 798 CD1 LEU A 53 2.333 -2.868 -12.904 1.00 0.00 C ATOM 799 CD2 LEU A 53 0.728 -3.262 -14.781 1.00 0.00 C ATOM 0 H LEU A 53 -0.297 -5.163 -11.191 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.702 -5.599 -13.980 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.738 -5.278 -12.207 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.854 -5.481 -13.944 1.00 0.00 H new ATOM 0 HG LEU A 53 0.245 -3.245 -12.704 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.207 -1.794 -13.044 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.531 -3.076 -11.852 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.172 -3.216 -13.507 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.624 -2.183 -14.896 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.526 -3.621 -15.431 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.209 -3.748 -15.055 1.00 0.00 H new ATOM 811 N PRO A 54 0.411 -7.834 -14.546 1.00 0.00 N ATOM 812 CA PRO A 54 0.315 -6.956 -15.716 1.00 0.00 C ATOM 813 C PRO A 54 -1.115 -6.495 -15.979 1.00 0.00 C ATOM 814 O PRO A 54 -1.360 -5.317 -16.237 1.00 0.00 O ATOM 815 CB PRO A 54 0.813 -7.837 -16.864 1.00 0.00 C ATOM 816 CG PRO A 54 0.548 -9.232 -16.413 1.00 0.00 C ATOM 817 CD PRO A 54 0.722 -9.225 -14.919 1.00 0.00 C ATOM 0 HA PRO A 54 0.890 -6.039 -15.585 1.00 0.00 H new ATOM 0 HB2 PRO A 54 0.286 -7.614 -17.792 1.00 0.00 H new ATOM 0 HB3 PRO A 54 1.874 -7.677 -17.054 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -0.459 -9.546 -16.687 1.00 0.00 H new ATOM 0 HG3 PRO A 54 1.239 -9.932 -16.883 1.00 0.00 H new ATOM 0 HD2 PRO A 54 0.049 -9.931 -14.433 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.736 -9.501 -14.631 1.00 0.00 H new ATOM 825 N ASP A 55 -2.055 -7.431 -15.911 1.00 0.00 N ATOM 826 CA ASP A 55 -3.461 -7.121 -16.140 1.00 0.00 C ATOM 827 C ASP A 55 -3.850 -5.819 -15.446 1.00 0.00 C ATOM 828 O ASP A 55 -4.254 -5.820 -14.283 1.00 0.00 O ATOM 829 CB ASP A 55 -4.346 -8.264 -15.640 1.00 0.00 C ATOM 830 CG ASP A 55 -5.794 -8.101 -16.058 1.00 0.00 C ATOM 831 OD1 ASP A 55 -6.075 -7.213 -16.891 1.00 0.00 O ATOM 832 OD2 ASP A 55 -6.646 -8.861 -15.552 1.00 0.00 O ATOM 0 H ASP A 55 -1.869 -8.411 -15.699 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.611 -6.999 -17.213 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.964 -9.210 -16.024 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.288 -8.315 -14.553 1.00 0.00 H new ATOM 837 N LYS A 56 -3.725 -4.710 -16.167 1.00 0.00 N ATOM 838 CA LYS A 56 -4.064 -3.401 -15.623 1.00 0.00 C ATOM 839 C LYS A 56 -5.145 -2.726 -16.461 1.00 0.00 C ATOM 840 O LYS A 56 -5.305 -1.506 -16.418 1.00 0.00 O ATOM 841 CB LYS A 56 -2.819 -2.512 -15.565 1.00 0.00 C ATOM 842 CG LYS A 56 -2.474 -1.862 -16.893 1.00 0.00 C ATOM 843 CD LYS A 56 -1.792 -0.519 -16.695 1.00 0.00 C ATOM 844 CE LYS A 56 -1.174 -0.012 -17.989 1.00 0.00 C ATOM 845 NZ LYS A 56 -0.760 1.415 -17.885 1.00 0.00 N ATOM 0 H LYS A 56 -3.391 -4.692 -17.131 1.00 0.00 H new ATOM 0 HA LYS A 56 -4.449 -3.544 -14.613 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -2.973 -1.733 -14.818 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -1.971 -3.110 -15.231 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -1.821 -2.522 -17.464 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -3.382 -1.727 -17.480 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -2.517 0.208 -16.327 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -1.018 -0.611 -15.933 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -0.308 -0.624 -18.242 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -1.891 -0.124 -18.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.344 1.722 -18.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -1.590 2.003 -17.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -0.056 1.518 -17.126 1.00 0.00 H new ATOM 859 N ARG A 57 -5.884 -3.527 -17.221 1.00 0.00 N ATOM 860 CA ARG A 57 -6.950 -3.006 -18.069 1.00 0.00 C ATOM 861 C ARG A 57 -7.840 -2.041 -17.292 1.00 0.00 C ATOM 862 O ARG A 57 -7.797 -1.994 -16.062 1.00 0.00 O ATOM 863 CB ARG A 57 -7.791 -4.154 -18.630 1.00 0.00 C ATOM 864 CG ARG A 57 -7.195 -4.796 -19.871 1.00 0.00 C ATOM 865 CD ARG A 57 -7.707 -6.215 -20.065 1.00 0.00 C ATOM 866 NE ARG A 57 -7.075 -6.874 -21.206 1.00 0.00 N ATOM 867 CZ ARG A 57 -7.478 -6.716 -22.461 1.00 0.00 C ATOM 868 NH1 ARG A 57 -8.507 -5.926 -22.736 1.00 0.00 N ATOM 869 NH2 ARG A 57 -6.852 -7.350 -23.445 1.00 0.00 N ATOM 0 H ARG A 57 -5.765 -4.539 -17.267 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.491 -2.464 -18.896 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.911 -4.915 -17.859 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.787 -3.781 -18.867 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.442 -4.196 -20.747 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -6.108 -4.808 -19.789 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -7.519 -6.795 -19.162 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.787 -6.194 -20.211 1.00 0.00 H new ATOM 0 HE ARG A 57 -6.281 -7.489 -21.028 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -8.991 -5.438 -21.982 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -8.814 -5.806 -23.701 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -6.061 -7.959 -23.237 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -7.162 -7.228 -24.409 1.00 0.00 H new ATOM 883 N ARG A 58 -8.646 -1.273 -18.017 1.00 0.00 N ATOM 884 CA ARG A 58 -9.545 -0.308 -17.396 1.00 0.00 C ATOM 885 C ARG A 58 -10.902 -0.940 -17.103 1.00 0.00 C ATOM 886 O ARG A 58 -11.936 -0.275 -17.176 1.00 0.00 O ATOM 887 CB ARG A 58 -9.723 0.912 -18.302 1.00 0.00 C ATOM 888 CG ARG A 58 -10.443 0.603 -19.605 1.00 0.00 C ATOM 889 CD ARG A 58 -10.371 1.774 -20.572 1.00 0.00 C ATOM 890 NE ARG A 58 -10.411 1.337 -21.965 1.00 0.00 N ATOM 891 CZ ARG A 58 -10.184 2.144 -22.995 1.00 0.00 C ATOM 892 NH1 ARG A 58 -9.903 3.423 -22.790 1.00 0.00 N ATOM 893 NH2 ARG A 58 -10.238 1.672 -24.234 1.00 0.00 N ATOM 0 H ARG A 58 -8.695 -1.300 -19.035 1.00 0.00 H new ATOM 0 HA ARG A 58 -9.101 0.010 -16.453 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -10.280 1.677 -17.761 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -8.743 1.332 -18.529 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -10.000 -0.279 -20.067 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -11.486 0.364 -19.398 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -11.202 2.453 -20.381 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -9.453 2.335 -20.394 1.00 0.00 H new ATOM 0 HE ARG A 58 -10.625 0.358 -22.157 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -9.861 3.790 -21.839 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -9.729 4.040 -23.583 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -10.454 0.688 -24.396 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -10.063 2.293 -25.024 1.00 0.00 H new ATOM 907 N SER A 59 -10.891 -2.227 -16.773 1.00 0.00 N ATOM 908 CA SER A 59 -12.121 -2.950 -16.473 1.00 0.00 C ATOM 909 C SER A 59 -12.300 -3.118 -14.967 1.00 0.00 C ATOM 910 O SER A 59 -13.271 -2.633 -14.388 1.00 0.00 O ATOM 911 CB SER A 59 -12.111 -4.321 -17.152 1.00 0.00 C ATOM 912 OG SER A 59 -12.002 -4.192 -18.559 1.00 0.00 O ATOM 0 H SER A 59 -10.044 -2.791 -16.707 1.00 0.00 H new ATOM 0 HA SER A 59 -12.958 -2.367 -16.858 1.00 0.00 H new ATOM 0 HB2 SER A 59 -11.278 -4.912 -16.772 1.00 0.00 H new ATOM 0 HB3 SER A 59 -13.025 -4.861 -16.903 1.00 0.00 H new ATOM 0 HG SER A 59 -11.996 -5.082 -18.970 1.00 0.00 H new ATOM 918 N GLY A 60 -11.354 -3.809 -14.339 1.00 0.00 N ATOM 919 CA GLY A 60 -11.424 -4.030 -12.906 1.00 0.00 C ATOM 920 C GLY A 60 -10.653 -2.988 -12.120 1.00 0.00 C ATOM 921 O GLY A 60 -10.024 -3.302 -11.110 1.00 0.00 O ATOM 0 H GLY A 60 -10.540 -4.220 -14.797 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -12.467 -4.020 -12.591 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -11.031 -5.020 -12.675 1.00 0.00 H new ATOM 925 N ARG A 61 -10.700 -1.744 -12.586 1.00 0.00 N ATOM 926 CA ARG A 61 -9.998 -0.653 -11.921 1.00 0.00 C ATOM 927 C ARG A 61 -10.433 -0.534 -10.464 1.00 0.00 C ATOM 928 O ARG A 61 -11.622 -0.610 -10.153 1.00 0.00 O ATOM 929 CB ARG A 61 -10.255 0.667 -12.651 1.00 0.00 C ATOM 930 CG ARG A 61 -9.869 1.895 -11.843 1.00 0.00 C ATOM 931 CD ARG A 61 -10.290 3.178 -12.543 1.00 0.00 C ATOM 932 NE ARG A 61 -11.644 3.583 -12.177 1.00 0.00 N ATOM 933 CZ ARG A 61 -12.263 4.637 -12.697 1.00 0.00 C ATOM 934 NH1 ARG A 61 -11.651 5.388 -13.603 1.00 0.00 N ATOM 935 NH2 ARG A 61 -13.496 4.941 -12.313 1.00 0.00 N ATOM 0 H ARG A 61 -11.216 -1.467 -13.421 1.00 0.00 H new ATOM 0 HA ARG A 61 -8.931 -0.873 -11.946 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -9.698 0.669 -13.588 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -11.312 0.730 -12.909 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -10.336 1.846 -10.859 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -8.791 1.903 -11.684 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -9.592 3.975 -12.288 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -10.233 3.037 -13.622 1.00 0.00 H new ATOM 0 HE ARG A 61 -12.142 3.026 -11.483 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -10.704 5.157 -13.902 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -12.128 6.197 -14.001 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -13.970 4.365 -11.617 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -13.970 5.751 -12.713 1.00 0.00 H new ATOM 949 N ARG A 62 -9.463 -0.347 -9.575 1.00 0.00 N ATOM 950 CA ARG A 62 -9.745 -0.219 -8.151 1.00 0.00 C ATOM 951 C ARG A 62 -8.922 0.907 -7.532 1.00 0.00 C ATOM 952 O ARG A 62 -7.706 0.790 -7.378 1.00 0.00 O ATOM 953 CB ARG A 62 -9.451 -1.536 -7.431 1.00 0.00 C ATOM 954 CG ARG A 62 -10.323 -1.770 -6.208 1.00 0.00 C ATOM 955 CD ARG A 62 -11.762 -2.069 -6.599 1.00 0.00 C ATOM 956 NE ARG A 62 -11.976 -3.491 -6.853 1.00 0.00 N ATOM 957 CZ ARG A 62 -13.163 -4.082 -6.774 1.00 0.00 C ATOM 958 NH1 ARG A 62 -14.237 -3.376 -6.449 1.00 0.00 N ATOM 959 NH2 ARG A 62 -13.277 -5.381 -7.019 1.00 0.00 N ATOM 0 H ARG A 62 -8.474 -0.281 -9.816 1.00 0.00 H new ATOM 0 HA ARG A 62 -10.802 0.022 -8.036 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -9.591 -2.361 -8.129 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -8.404 -1.549 -7.128 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -9.922 -2.601 -5.628 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -10.295 -0.890 -5.566 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -12.430 -1.738 -5.804 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -12.021 -1.498 -7.491 1.00 0.00 H new ATOM 0 HE ARG A 62 -11.169 -4.062 -7.105 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -14.153 -2.377 -6.259 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -15.148 -3.831 -6.389 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -12.452 -5.927 -7.268 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -14.189 -5.833 -6.958 1.00 0.00 H new ATOM 973 N LYS A 63 -9.593 1.998 -7.179 1.00 0.00 N ATOM 974 CA LYS A 63 -8.926 3.146 -6.576 1.00 0.00 C ATOM 975 C LYS A 63 -9.787 3.761 -5.478 1.00 0.00 C ATOM 976 O LYS A 63 -10.952 3.399 -5.312 1.00 0.00 O ATOM 977 CB LYS A 63 -8.611 4.197 -7.643 1.00 0.00 C ATOM 978 CG LYS A 63 -9.842 4.718 -8.365 1.00 0.00 C ATOM 979 CD LYS A 63 -10.459 5.899 -7.635 1.00 0.00 C ATOM 980 CE LYS A 63 -11.263 6.779 -8.580 1.00 0.00 C ATOM 981 NZ LYS A 63 -12.676 6.323 -8.695 1.00 0.00 N ATOM 0 H LYS A 63 -10.599 2.111 -7.300 1.00 0.00 H new ATOM 0 HA LYS A 63 -7.994 2.800 -6.130 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -8.093 5.034 -7.175 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.926 3.767 -8.374 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -9.572 5.016 -9.378 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -10.578 3.919 -8.454 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -11.105 5.537 -6.835 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -9.672 6.490 -7.166 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -11.242 7.809 -8.224 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -10.798 6.773 -9.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -13.191 6.948 -9.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -12.698 5.349 -9.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -13.128 6.353 -7.759 1.00 0.00 H new ATOM 995 N THR A 64 -9.207 4.696 -4.731 1.00 0.00 N ATOM 996 CA THR A 64 -9.922 5.363 -3.650 1.00 0.00 C ATOM 997 C THR A 64 -10.462 6.716 -4.100 1.00 0.00 C ATOM 998 O THR A 64 -10.095 7.220 -5.162 1.00 0.00 O ATOM 999 CB THR A 64 -9.017 5.566 -2.420 1.00 0.00 C ATOM 1000 OG1 THR A 64 -7.969 6.490 -2.731 1.00 0.00 O ATOM 1001 CG2 THR A 64 -8.418 4.244 -1.965 1.00 0.00 C ATOM 0 H THR A 64 -8.244 5.008 -4.855 1.00 0.00 H new ATOM 0 HA THR A 64 -10.755 4.716 -3.376 1.00 0.00 H new ATOM 0 HB THR A 64 -9.626 5.968 -1.610 1.00 0.00 H new ATOM 0 HG1 THR A 64 -7.796 7.062 -1.954 1.00 0.00 H new ATOM 0 HG21 THR A 64 -7.783 4.412 -1.095 1.00 0.00 H new ATOM 0 HG22 THR A 64 -9.219 3.553 -1.701 1.00 0.00 H new ATOM 0 HG23 THR A 64 -7.822 3.817 -2.772 1.00 0.00 H new ATOM 1009 N HIS A 65 -11.334 7.300 -3.284 1.00 0.00 N ATOM 1010 CA HIS A 65 -11.923 8.597 -3.598 1.00 0.00 C ATOM 1011 C HIS A 65 -10.838 9.633 -3.877 1.00 0.00 C ATOM 1012 O HIS A 65 -9.673 9.436 -3.532 1.00 0.00 O ATOM 1013 CB HIS A 65 -12.811 9.069 -2.447 1.00 0.00 C ATOM 1014 CG HIS A 65 -13.741 10.181 -2.825 1.00 0.00 C ATOM 1015 ND1 HIS A 65 -13.589 11.475 -2.374 1.00 0.00 N ATOM 1016 CD2 HIS A 65 -14.838 10.187 -3.618 1.00 0.00 C ATOM 1017 CE1 HIS A 65 -14.554 12.229 -2.872 1.00 0.00 C ATOM 1018 NE2 HIS A 65 -15.325 11.471 -3.630 1.00 0.00 N ATOM 0 H HIS A 65 -11.648 6.896 -2.402 1.00 0.00 H new ATOM 0 HA HIS A 65 -12.532 8.484 -4.495 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -13.396 8.225 -2.081 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -12.179 9.400 -1.623 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -15.253 9.340 -4.144 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -14.689 13.285 -2.690 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -16.149 11.788 -4.141 1.00 0.00 H new ATOM 1026 N VAL A 66 -11.229 10.738 -4.505 1.00 0.00 N ATOM 1027 CA VAL A 66 -10.290 11.805 -4.830 1.00 0.00 C ATOM 1028 C VAL A 66 -10.479 13.003 -3.906 1.00 0.00 C ATOM 1029 O VAL A 66 -11.412 13.788 -4.073 1.00 0.00 O ATOM 1030 CB VAL A 66 -10.450 12.267 -6.291 1.00 0.00 C ATOM 1031 CG1 VAL A 66 -9.497 13.413 -6.596 1.00 0.00 C ATOM 1032 CG2 VAL A 66 -10.222 11.105 -7.245 1.00 0.00 C ATOM 0 H VAL A 66 -12.189 10.917 -4.799 1.00 0.00 H new ATOM 0 HA VAL A 66 -9.288 11.398 -4.693 1.00 0.00 H new ATOM 0 HB VAL A 66 -11.469 12.627 -6.431 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -9.624 13.726 -7.632 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -9.713 14.252 -5.934 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -8.470 13.083 -6.440 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -10.339 11.449 -8.272 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -9.215 10.713 -7.106 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -10.949 10.319 -7.041 1.00 0.00 H new ATOM 1042 N SER A 67 -9.586 13.138 -2.931 1.00 0.00 N ATOM 1043 CA SER A 67 -9.655 14.239 -1.978 1.00 0.00 C ATOM 1044 C SER A 67 -9.277 15.558 -2.643 1.00 0.00 C ATOM 1045 O SER A 67 -8.371 15.611 -3.475 1.00 0.00 O ATOM 1046 CB SER A 67 -8.731 13.970 -0.789 1.00 0.00 C ATOM 1047 OG SER A 67 -8.822 12.621 -0.366 1.00 0.00 O ATOM 0 H SER A 67 -8.806 12.498 -2.780 1.00 0.00 H new ATOM 0 HA SER A 67 -10.682 14.314 -1.621 1.00 0.00 H new ATOM 0 HB2 SER A 67 -7.702 14.199 -1.066 1.00 0.00 H new ATOM 0 HB3 SER A 67 -8.994 14.632 0.036 1.00 0.00 H new ATOM 0 HG SER A 67 -8.491 12.543 0.553 1.00 0.00 H new ATOM 1053 N LYS A 68 -9.977 16.624 -2.270 1.00 0.00 N ATOM 1054 CA LYS A 68 -9.716 17.946 -2.828 1.00 0.00 C ATOM 1055 C LYS A 68 -9.361 18.940 -1.728 1.00 0.00 C ATOM 1056 O LYS A 68 -9.669 18.722 -0.556 1.00 0.00 O ATOM 1057 CB LYS A 68 -10.936 18.443 -3.606 1.00 0.00 C ATOM 1058 CG LYS A 68 -11.361 17.515 -4.730 1.00 0.00 C ATOM 1059 CD LYS A 68 -12.356 18.186 -5.663 1.00 0.00 C ATOM 1060 CE LYS A 68 -12.340 17.552 -7.045 1.00 0.00 C ATOM 1061 NZ LYS A 68 -12.943 18.445 -8.072 1.00 0.00 N ATOM 0 H LYS A 68 -10.730 16.598 -1.583 1.00 0.00 H new ATOM 0 HA LYS A 68 -8.868 17.866 -3.508 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -11.770 18.569 -2.915 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -10.715 19.426 -4.022 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -10.484 17.203 -5.296 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -11.806 16.613 -4.310 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -13.358 18.114 -5.240 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -12.120 19.247 -5.746 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -11.313 17.318 -7.325 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -12.886 16.609 -7.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -12.913 17.977 -9.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -13.931 18.648 -7.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -12.407 19.335 -8.116 1.00 0.00 H new ATOM 1075 N LYS A 69 -8.713 20.034 -2.112 1.00 0.00 N ATOM 1076 CA LYS A 69 -8.318 21.065 -1.159 1.00 0.00 C ATOM 1077 C LYS A 69 -7.568 20.456 0.022 1.00 0.00 C ATOM 1078 O LYS A 69 -7.913 20.695 1.180 1.00 0.00 O ATOM 1079 CB LYS A 69 -9.548 21.825 -0.659 1.00 0.00 C ATOM 1080 CG LYS A 69 -10.048 22.880 -1.630 1.00 0.00 C ATOM 1081 CD LYS A 69 -9.254 24.169 -1.510 1.00 0.00 C ATOM 1082 CE LYS A 69 -9.694 25.194 -2.544 1.00 0.00 C ATOM 1083 NZ LYS A 69 -11.030 25.768 -2.222 1.00 0.00 N ATOM 0 H LYS A 69 -8.450 20.230 -3.078 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.652 21.761 -1.670 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -10.350 21.113 -0.465 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.308 22.302 0.291 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -9.976 22.501 -2.649 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -11.102 23.082 -1.439 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -9.380 24.583 -0.510 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.192 23.956 -1.636 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -8.957 25.996 -2.597 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.727 24.726 -3.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.294 26.462 -2.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.738 25.007 -2.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -10.992 26.237 -1.294 1.00 0.00 H new ATOM 1097 N THR A 70 -6.540 19.668 -0.278 1.00 0.00 N ATOM 1098 CA THR A 70 -5.742 19.025 0.758 1.00 0.00 C ATOM 1099 C THR A 70 -4.534 18.314 0.160 1.00 0.00 C ATOM 1100 O THR A 70 -4.622 17.712 -0.911 1.00 0.00 O ATOM 1101 CB THR A 70 -6.577 18.009 1.560 1.00 0.00 C ATOM 1102 OG1 THR A 70 -5.799 17.481 2.640 1.00 0.00 O ATOM 1103 CG2 THR A 70 -7.050 16.872 0.667 1.00 0.00 C ATOM 0 H THR A 70 -6.241 19.460 -1.231 1.00 0.00 H new ATOM 0 HA THR A 70 -5.400 19.813 1.429 1.00 0.00 H new ATOM 0 HB THR A 70 -7.451 18.524 1.959 1.00 0.00 H new ATOM 0 HG1 THR A 70 -6.337 16.837 3.146 1.00 0.00 H new ATOM 0 HG21 THR A 70 -7.637 16.167 1.256 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.665 17.274 -0.138 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.187 16.359 0.243 1.00 0.00 H new ATOM 1111 N LEU A 71 -3.405 18.387 0.857 1.00 0.00 N ATOM 1112 CA LEU A 71 -2.178 17.749 0.394 1.00 0.00 C ATOM 1113 C LEU A 71 -1.979 16.396 1.071 1.00 0.00 C ATOM 1114 O LEU A 71 -1.145 15.597 0.648 1.00 0.00 O ATOM 1115 CB LEU A 71 -0.975 18.652 0.671 1.00 0.00 C ATOM 1116 CG LEU A 71 -0.927 19.965 -0.112 1.00 0.00 C ATOM 1117 CD1 LEU A 71 0.430 20.633 0.049 1.00 0.00 C ATOM 1118 CD2 LEU A 71 -1.233 19.721 -1.582 1.00 0.00 C ATOM 0 H LEU A 71 -3.314 18.882 1.744 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.264 17.588 -0.681 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.959 18.886 1.735 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.067 18.090 0.455 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.688 20.634 0.290 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.446 21.566 -0.515 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.609 20.843 1.103 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.209 19.969 -0.326 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.194 20.666 -2.123 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.496 19.034 -1.998 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.228 19.288 -1.679 1.00 0.00 H new ATOM 1130 N ASN A 72 -2.752 16.147 2.123 1.00 0.00 N ATOM 1131 CA ASN A 72 -2.662 14.890 2.857 1.00 0.00 C ATOM 1132 C ASN A 72 -4.023 14.204 2.929 1.00 0.00 C ATOM 1133 O ASN A 72 -4.753 14.320 3.913 1.00 0.00 O ATOM 1134 CB ASN A 72 -2.128 15.138 4.269 1.00 0.00 C ATOM 1135 CG ASN A 72 -2.720 16.382 4.902 1.00 0.00 C ATOM 1136 OD1 ASN A 72 -3.651 16.301 5.703 1.00 0.00 O ATOM 1137 ND2 ASN A 72 -2.182 17.542 4.542 1.00 0.00 N ATOM 0 H ASN A 72 -3.447 16.799 2.486 1.00 0.00 H new ATOM 0 HA ASN A 72 -1.972 14.235 2.325 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -2.351 14.274 4.895 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -1.043 15.234 4.232 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -2.540 18.413 4.933 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -1.411 17.561 3.874 1.00 0.00 H new ATOM 1144 N PRO A 73 -4.372 13.470 1.862 1.00 0.00 N ATOM 1145 CA PRO A 73 -5.646 12.749 1.781 1.00 0.00 C ATOM 1146 C PRO A 73 -5.703 11.563 2.738 1.00 0.00 C ATOM 1147 O PRO A 73 -4.687 10.927 3.016 1.00 0.00 O ATOM 1148 CB PRO A 73 -5.688 12.266 0.328 1.00 0.00 C ATOM 1149 CG PRO A 73 -4.259 12.185 -0.085 1.00 0.00 C ATOM 1150 CD PRO A 73 -3.551 13.287 0.654 1.00 0.00 C ATOM 0 HA PRO A 73 -6.490 13.380 2.060 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -6.179 11.296 0.247 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -6.244 12.959 -0.304 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.835 11.212 0.165 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -4.157 12.310 -1.163 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -2.526 13.010 0.903 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -3.500 14.200 0.061 1.00 0.00 H new ATOM 1158 N VAL A 74 -6.899 11.271 3.239 1.00 0.00 N ATOM 1159 CA VAL A 74 -7.089 10.160 4.164 1.00 0.00 C ATOM 1160 C VAL A 74 -8.280 9.301 3.754 1.00 0.00 C ATOM 1161 O VAL A 74 -9.424 9.754 3.777 1.00 0.00 O ATOM 1162 CB VAL A 74 -7.304 10.660 5.605 1.00 0.00 C ATOM 1163 CG1 VAL A 74 -7.413 9.487 6.567 1.00 0.00 C ATOM 1164 CG2 VAL A 74 -6.177 11.595 6.018 1.00 0.00 C ATOM 0 H VAL A 74 -7.751 11.788 3.020 1.00 0.00 H new ATOM 0 HA VAL A 74 -6.181 9.559 4.127 1.00 0.00 H new ATOM 0 HB VAL A 74 -8.240 11.217 5.642 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -7.565 9.860 7.580 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -8.257 8.859 6.281 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -6.495 8.900 6.530 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -6.345 11.939 7.039 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.226 11.064 5.966 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.151 12.453 5.346 1.00 0.00 H new ATOM 1174 N PHE A 75 -8.003 8.056 3.379 1.00 0.00 N ATOM 1175 CA PHE A 75 -9.051 7.132 2.962 1.00 0.00 C ATOM 1176 C PHE A 75 -9.283 6.059 4.022 1.00 0.00 C ATOM 1177 O PHE A 75 -10.422 5.763 4.383 1.00 0.00 O ATOM 1178 CB PHE A 75 -8.683 6.477 1.629 1.00 0.00 C ATOM 1179 CG PHE A 75 -8.075 7.431 0.641 1.00 0.00 C ATOM 1180 CD1 PHE A 75 -8.849 8.402 0.028 1.00 0.00 C ATOM 1181 CD2 PHE A 75 -6.728 7.355 0.324 1.00 0.00 C ATOM 1182 CE1 PHE A 75 -8.292 9.282 -0.881 1.00 0.00 C ATOM 1183 CE2 PHE A 75 -6.165 8.231 -0.585 1.00 0.00 C ATOM 1184 CZ PHE A 75 -6.949 9.195 -1.189 1.00 0.00 C ATOM 0 H PHE A 75 -7.062 7.664 3.355 1.00 0.00 H new ATOM 0 HA PHE A 75 -9.973 7.700 2.837 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -7.982 5.663 1.814 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -9.578 6.034 1.191 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -9.901 8.473 0.263 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -6.111 6.603 0.793 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -8.907 10.036 -1.350 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -5.114 8.162 -0.823 1.00 0.00 H new ATOM 0 HZ PHE A 75 -6.512 9.879 -1.901 1.00 0.00 H new ATOM 1194 N ASP A 76 -8.194 5.480 4.516 1.00 0.00 N ATOM 1195 CA ASP A 76 -8.277 4.440 5.535 1.00 0.00 C ATOM 1196 C ASP A 76 -9.165 3.290 5.067 1.00 0.00 C ATOM 1197 O ASP A 76 -9.805 2.620 5.877 1.00 0.00 O ATOM 1198 CB ASP A 76 -8.819 5.019 6.843 1.00 0.00 C ATOM 1199 CG ASP A 76 -8.525 4.130 8.035 1.00 0.00 C ATOM 1200 OD1 ASP A 76 -7.332 3.926 8.343 1.00 0.00 O ATOM 1201 OD2 ASP A 76 -9.488 3.640 8.661 1.00 0.00 O ATOM 0 H ASP A 76 -7.244 5.713 4.227 1.00 0.00 H new ATOM 0 HA ASP A 76 -7.272 4.053 5.707 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -8.381 6.003 7.010 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -9.896 5.160 6.756 1.00 0.00 H new ATOM 1206 N GLN A 77 -9.198 3.070 3.757 1.00 0.00 N ATOM 1207 CA GLN A 77 -10.009 2.003 3.182 1.00 0.00 C ATOM 1208 C GLN A 77 -9.140 0.817 2.779 1.00 0.00 C ATOM 1209 O GLN A 77 -7.963 0.978 2.456 1.00 0.00 O ATOM 1210 CB GLN A 77 -10.783 2.520 1.968 1.00 0.00 C ATOM 1211 CG GLN A 77 -12.151 3.083 2.314 1.00 0.00 C ATOM 1212 CD GLN A 77 -12.801 3.797 1.145 1.00 0.00 C ATOM 1213 OE1 GLN A 77 -12.133 4.824 0.633 1.00 0.00 O flip ATOM 1214 NE2 GLN A 77 -13.892 3.430 0.707 1.00 0.00 N flip ATOM 0 H GLN A 77 -8.673 3.616 3.074 1.00 0.00 H new ATOM 0 HA GLN A 77 -10.718 1.670 3.940 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -10.195 3.294 1.475 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -10.904 1.707 1.252 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -12.800 2.273 2.646 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -12.054 3.776 3.150 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -14.371 2.635 1.131 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -14.317 3.921 -0.080 1.00 0.00 H new ATOM 1223 N SER A 78 -9.728 -0.375 2.800 1.00 0.00 N ATOM 1224 CA SER A 78 -9.006 -1.590 2.441 1.00 0.00 C ATOM 1225 C SER A 78 -9.720 -2.334 1.316 1.00 0.00 C ATOM 1226 O SER A 78 -10.946 -2.435 1.304 1.00 0.00 O ATOM 1227 CB SER A 78 -8.862 -2.503 3.660 1.00 0.00 C ATOM 1228 OG SER A 78 -8.238 -3.726 3.310 1.00 0.00 O ATOM 0 H SER A 78 -10.702 -0.525 3.062 1.00 0.00 H new ATOM 0 HA SER A 78 -8.014 -1.303 2.092 1.00 0.00 H new ATOM 0 HB2 SER A 78 -8.276 -1.999 4.429 1.00 0.00 H new ATOM 0 HB3 SER A 78 -9.845 -2.702 4.088 1.00 0.00 H new ATOM 0 HG SER A 78 -8.156 -4.291 4.106 1.00 0.00 H new ATOM 1234 N PHE A 79 -8.942 -2.852 0.371 1.00 0.00 N ATOM 1235 CA PHE A 79 -9.498 -3.586 -0.760 1.00 0.00 C ATOM 1236 C PHE A 79 -9.022 -5.035 -0.755 1.00 0.00 C ATOM 1237 O PHE A 79 -8.150 -5.411 0.029 1.00 0.00 O ATOM 1238 CB PHE A 79 -9.105 -2.912 -2.076 1.00 0.00 C ATOM 1239 CG PHE A 79 -9.459 -1.453 -2.131 1.00 0.00 C ATOM 1240 CD1 PHE A 79 -8.834 -0.542 -1.295 1.00 0.00 C ATOM 1241 CD2 PHE A 79 -10.417 -0.993 -3.021 1.00 0.00 C ATOM 1242 CE1 PHE A 79 -9.159 0.800 -1.344 1.00 0.00 C ATOM 1243 CE2 PHE A 79 -10.746 0.349 -3.074 1.00 0.00 C ATOM 1244 CZ PHE A 79 -10.115 1.246 -2.236 1.00 0.00 C ATOM 0 H PHE A 79 -7.925 -2.777 0.366 1.00 0.00 H new ATOM 0 HA PHE A 79 -10.584 -3.579 -0.667 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -8.031 -3.023 -2.225 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -9.597 -3.428 -2.901 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -8.084 -0.885 -0.597 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -10.912 -1.691 -3.680 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -8.666 1.500 -0.685 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -11.496 0.695 -3.770 1.00 0.00 H new ATOM 0 HZ PHE A 79 -10.368 2.295 -2.278 1.00 0.00 H new ATOM 1254 N ASP A 80 -9.600 -5.844 -1.636 1.00 0.00 N ATOM 1255 CA ASP A 80 -9.235 -7.253 -1.735 1.00 0.00 C ATOM 1256 C ASP A 80 -9.416 -7.762 -3.161 1.00 0.00 C ATOM 1257 O ASP A 80 -10.287 -7.292 -3.894 1.00 0.00 O ATOM 1258 CB ASP A 80 -10.078 -8.089 -0.770 1.00 0.00 C ATOM 1259 CG ASP A 80 -11.489 -7.555 -0.622 1.00 0.00 C ATOM 1260 OD1 ASP A 80 -12.211 -7.494 -1.640 1.00 0.00 O ATOM 1261 OD2 ASP A 80 -11.872 -7.199 0.512 1.00 0.00 O ATOM 0 H ASP A 80 -10.323 -5.549 -2.292 1.00 0.00 H new ATOM 0 HA ASP A 80 -8.184 -7.351 -1.465 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -10.118 -9.119 -1.125 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -9.595 -8.107 0.207 1.00 0.00 H new ATOM 1266 N PHE A 81 -8.588 -8.726 -3.550 1.00 0.00 N ATOM 1267 CA PHE A 81 -8.656 -9.298 -4.889 1.00 0.00 C ATOM 1268 C PHE A 81 -8.431 -10.807 -4.848 1.00 0.00 C ATOM 1269 O PHE A 81 -7.421 -11.281 -4.330 1.00 0.00 O ATOM 1270 CB PHE A 81 -7.617 -8.641 -5.800 1.00 0.00 C ATOM 1271 CG PHE A 81 -7.604 -7.142 -5.711 1.00 0.00 C ATOM 1272 CD1 PHE A 81 -8.578 -6.389 -6.346 1.00 0.00 C ATOM 1273 CD2 PHE A 81 -6.617 -6.486 -4.993 1.00 0.00 C ATOM 1274 CE1 PHE A 81 -8.569 -5.009 -6.266 1.00 0.00 C ATOM 1275 CE2 PHE A 81 -6.603 -5.107 -4.909 1.00 0.00 C ATOM 1276 CZ PHE A 81 -7.580 -4.367 -5.547 1.00 0.00 C ATOM 0 H PHE A 81 -7.862 -9.127 -2.956 1.00 0.00 H new ATOM 0 HA PHE A 81 -9.652 -9.108 -5.288 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -6.628 -9.021 -5.543 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -7.813 -8.934 -6.831 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -9.353 -6.886 -6.910 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -5.850 -7.059 -4.493 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -9.335 -4.434 -6.765 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -5.829 -4.608 -4.345 1.00 0.00 H new ATOM 0 HZ PHE A 81 -7.570 -3.289 -5.484 1.00 0.00 H new ATOM 1286 N SER A 82 -9.382 -11.556 -5.398 1.00 0.00 N ATOM 1287 CA SER A 82 -9.291 -13.011 -5.421 1.00 0.00 C ATOM 1288 C SER A 82 -8.224 -13.473 -6.409 1.00 0.00 C ATOM 1289 O SER A 82 -8.498 -13.657 -7.595 1.00 0.00 O ATOM 1290 CB SER A 82 -10.644 -13.622 -5.792 1.00 0.00 C ATOM 1291 OG SER A 82 -11.092 -13.144 -7.048 1.00 0.00 O ATOM 0 H SER A 82 -10.224 -11.179 -5.833 1.00 0.00 H new ATOM 0 HA SER A 82 -9.009 -13.349 -4.424 1.00 0.00 H new ATOM 0 HB2 SER A 82 -10.560 -14.708 -5.822 1.00 0.00 H new ATOM 0 HB3 SER A 82 -11.379 -13.380 -5.024 1.00 0.00 H new ATOM 0 HG SER A 82 -10.370 -13.226 -7.706 1.00 0.00 H new ATOM 1297 N VAL A 83 -7.006 -13.659 -5.911 1.00 0.00 N ATOM 1298 CA VAL A 83 -5.897 -14.101 -6.747 1.00 0.00 C ATOM 1299 C VAL A 83 -4.978 -15.050 -5.986 1.00 0.00 C ATOM 1300 O VAL A 83 -4.618 -14.793 -4.837 1.00 0.00 O ATOM 1301 CB VAL A 83 -5.071 -12.907 -7.261 1.00 0.00 C ATOM 1302 CG1 VAL A 83 -4.740 -11.956 -6.121 1.00 0.00 C ATOM 1303 CG2 VAL A 83 -3.803 -13.392 -7.947 1.00 0.00 C ATOM 0 H VAL A 83 -6.762 -13.510 -4.932 1.00 0.00 H new ATOM 0 HA VAL A 83 -6.332 -14.626 -7.597 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.668 -12.364 -7.994 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -4.156 -11.119 -6.503 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.664 -11.582 -5.679 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -4.163 -12.484 -5.362 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.232 -12.535 -8.304 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.200 -13.960 -7.238 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -4.067 -14.029 -8.791 1.00 0.00 H new ATOM 1313 N SER A 84 -4.601 -16.147 -6.635 1.00 0.00 N ATOM 1314 CA SER A 84 -3.726 -17.137 -6.018 1.00 0.00 C ATOM 1315 C SER A 84 -2.290 -16.627 -5.950 1.00 0.00 C ATOM 1316 O SER A 84 -1.850 -15.862 -6.810 1.00 0.00 O ATOM 1317 CB SER A 84 -3.776 -18.451 -6.800 1.00 0.00 C ATOM 1318 OG SER A 84 -5.067 -18.674 -7.341 1.00 0.00 O ATOM 0 H SER A 84 -4.888 -16.373 -7.588 1.00 0.00 H new ATOM 0 HA SER A 84 -4.079 -17.313 -5.002 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.040 -18.427 -7.604 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.505 -19.279 -6.144 1.00 0.00 H new ATOM 0 HG SER A 84 -5.072 -19.519 -7.837 1.00 0.00 H new ATOM 1324 N LEU A 85 -1.565 -17.055 -4.923 1.00 0.00 N ATOM 1325 CA LEU A 85 -0.177 -16.641 -4.742 1.00 0.00 C ATOM 1326 C LEU A 85 0.643 -16.922 -5.997 1.00 0.00 C ATOM 1327 O LEU A 85 1.435 -16.095 -6.449 1.00 0.00 O ATOM 1328 CB LEU A 85 0.439 -17.366 -3.544 1.00 0.00 C ATOM 1329 CG LEU A 85 1.965 -17.448 -3.521 1.00 0.00 C ATOM 1330 CD1 LEU A 85 2.558 -16.196 -2.891 1.00 0.00 C ATOM 1331 CD2 LEU A 85 2.422 -18.691 -2.772 1.00 0.00 C ATOM 0 H LEU A 85 -1.914 -17.688 -4.203 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.165 -15.567 -4.555 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.108 -16.867 -2.633 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.040 -18.380 -3.514 1.00 0.00 H new ATOM 0 HG LEU A 85 2.321 -17.516 -4.549 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.645 -16.273 -2.883 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.260 -15.322 -3.469 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.194 -16.096 -1.868 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.511 -18.732 -2.766 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.055 -18.653 -1.746 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.028 -19.579 -3.266 1.00 0.00 H new ATOM 1343 N PRO A 86 0.448 -18.116 -6.577 1.00 0.00 N ATOM 1344 CA PRO A 86 1.159 -18.532 -7.789 1.00 0.00 C ATOM 1345 C PRO A 86 1.132 -17.461 -8.874 1.00 0.00 C ATOM 1346 O PRO A 86 2.097 -17.295 -9.619 1.00 0.00 O ATOM 1347 CB PRO A 86 0.387 -19.773 -8.245 1.00 0.00 C ATOM 1348 CG PRO A 86 -0.226 -20.316 -7.000 1.00 0.00 C ATOM 1349 CD PRO A 86 -0.481 -19.151 -6.093 1.00 0.00 C ATOM 0 HA PRO A 86 2.216 -18.716 -7.598 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -0.374 -19.517 -8.982 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.050 -20.502 -8.711 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -1.155 -20.840 -7.224 1.00 0.00 H new ATOM 0 HG3 PRO A 86 0.440 -21.036 -6.525 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -1.517 -18.817 -6.153 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -0.288 -19.406 -5.051 1.00 0.00 H new ATOM 1357 N GLU A 87 0.021 -16.735 -8.955 1.00 0.00 N ATOM 1358 CA GLU A 87 -0.129 -15.679 -9.949 1.00 0.00 C ATOM 1359 C GLU A 87 0.388 -14.348 -9.412 1.00 0.00 C ATOM 1360 O GLU A 87 1.284 -13.737 -9.995 1.00 0.00 O ATOM 1361 CB GLU A 87 -1.597 -15.540 -10.359 1.00 0.00 C ATOM 1362 CG GLU A 87 -2.019 -16.511 -11.449 1.00 0.00 C ATOM 1363 CD GLU A 87 -3.455 -16.304 -11.891 1.00 0.00 C ATOM 1364 OE1 GLU A 87 -4.232 -15.703 -11.119 1.00 0.00 O ATOM 1365 OE2 GLU A 87 -3.802 -16.743 -13.007 1.00 0.00 O ATOM 0 H GLU A 87 -0.787 -16.859 -8.345 1.00 0.00 H new ATOM 0 HA GLU A 87 0.462 -15.952 -10.823 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -2.226 -15.695 -9.483 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -1.774 -14.521 -10.703 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -1.358 -16.396 -12.308 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -1.898 -17.532 -11.088 1.00 0.00 H new ATOM 1372 N VAL A 88 -0.182 -13.904 -8.297 1.00 0.00 N ATOM 1373 CA VAL A 88 0.221 -12.646 -7.680 1.00 0.00 C ATOM 1374 C VAL A 88 1.739 -12.531 -7.608 1.00 0.00 C ATOM 1375 O VAL A 88 2.291 -11.433 -7.663 1.00 0.00 O ATOM 1376 CB VAL A 88 -0.361 -12.505 -6.261 1.00 0.00 C ATOM 1377 CG1 VAL A 88 0.543 -13.184 -5.243 1.00 0.00 C ATOM 1378 CG2 VAL A 88 -0.564 -11.039 -5.912 1.00 0.00 C ATOM 0 H VAL A 88 -0.925 -14.397 -7.802 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.172 -11.846 -8.307 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.332 -12.999 -6.235 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.116 -13.074 -4.246 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.632 -14.243 -5.485 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.530 -12.722 -5.268 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -0.976 -10.958 -4.906 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.393 -10.519 -5.955 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.255 -10.588 -6.624 1.00 0.00 H new ATOM 1388 N GLN A 89 2.409 -13.673 -7.485 1.00 0.00 N ATOM 1389 CA GLN A 89 3.864 -13.700 -7.406 1.00 0.00 C ATOM 1390 C GLN A 89 4.489 -13.079 -8.651 1.00 0.00 C ATOM 1391 O GLN A 89 5.213 -12.087 -8.566 1.00 0.00 O ATOM 1392 CB GLN A 89 4.360 -15.137 -7.234 1.00 0.00 C ATOM 1393 CG GLN A 89 4.213 -15.666 -5.817 1.00 0.00 C ATOM 1394 CD GLN A 89 4.322 -17.176 -5.743 1.00 0.00 C ATOM 1395 OE1 GLN A 89 3.972 -17.882 -6.690 1.00 0.00 O ATOM 1396 NE2 GLN A 89 4.809 -17.681 -4.616 1.00 0.00 N ATOM 0 H GLN A 89 1.967 -14.591 -7.438 1.00 0.00 H new ATOM 0 HA GLN A 89 4.166 -13.113 -6.539 1.00 0.00 H new ATOM 0 HB2 GLN A 89 3.809 -15.786 -7.914 1.00 0.00 H new ATOM 0 HB3 GLN A 89 5.409 -15.188 -7.525 1.00 0.00 H new ATOM 0 HG2 GLN A 89 4.980 -15.219 -5.185 1.00 0.00 H new ATOM 0 HG3 GLN A 89 3.248 -15.355 -5.416 1.00 0.00 H new ATOM 0 HE21 GLN A 89 5.087 -17.059 -3.857 1.00 0.00 H new ATOM 0 HE22 GLN A 89 4.905 -18.691 -4.509 1.00 0.00 H new ATOM 1405 N ARG A 90 4.204 -13.670 -9.807 1.00 0.00 N ATOM 1406 CA ARG A 90 4.739 -13.176 -11.070 1.00 0.00 C ATOM 1407 C ARG A 90 4.107 -11.838 -11.442 1.00 0.00 C ATOM 1408 O ARG A 90 4.471 -11.226 -12.447 1.00 0.00 O ATOM 1409 CB ARG A 90 4.497 -14.195 -12.185 1.00 0.00 C ATOM 1410 CG ARG A 90 3.025 -14.440 -12.476 1.00 0.00 C ATOM 1411 CD ARG A 90 2.813 -14.922 -13.903 1.00 0.00 C ATOM 1412 NE ARG A 90 1.428 -15.315 -14.147 1.00 0.00 N ATOM 1413 CZ ARG A 90 0.884 -15.379 -15.357 1.00 0.00 C ATOM 1414 NH1 ARG A 90 1.605 -15.078 -16.428 1.00 0.00 N ATOM 1415 NH2 ARG A 90 -0.383 -15.746 -15.498 1.00 0.00 N ATOM 0 H ARG A 90 3.606 -14.491 -9.895 1.00 0.00 H new ATOM 0 HA ARG A 90 5.812 -13.030 -10.948 1.00 0.00 H new ATOM 0 HB2 ARG A 90 4.986 -13.848 -13.095 1.00 0.00 H new ATOM 0 HB3 ARG A 90 4.967 -15.140 -11.911 1.00 0.00 H new ATOM 0 HG2 ARG A 90 2.633 -15.180 -11.779 1.00 0.00 H new ATOM 0 HG3 ARG A 90 2.463 -13.520 -12.314 1.00 0.00 H new ATOM 0 HD2 ARG A 90 3.093 -14.131 -14.598 1.00 0.00 H new ATOM 0 HD3 ARG A 90 3.470 -15.768 -14.101 1.00 0.00 H new ATOM 0 HE ARG A 90 0.846 -15.554 -13.344 1.00 0.00 H new ATOM 0 HH11 ARG A 90 2.580 -14.797 -16.324 1.00 0.00 H new ATOM 0 HH12 ARG A 90 1.185 -15.128 -17.356 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -0.941 -15.979 -14.677 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -0.799 -15.795 -16.428 1.00 0.00 H new ATOM 1429 N ARG A 91 3.158 -11.391 -10.626 1.00 0.00 N ATOM 1430 CA ARG A 91 2.473 -10.127 -10.871 1.00 0.00 C ATOM 1431 C ARG A 91 3.099 -9.002 -10.051 1.00 0.00 C ATOM 1432 O ARG A 91 4.064 -9.217 -9.316 1.00 0.00 O ATOM 1433 CB ARG A 91 0.987 -10.253 -10.532 1.00 0.00 C ATOM 1434 CG ARG A 91 0.189 -11.022 -11.572 1.00 0.00 C ATOM 1435 CD ARG A 91 -1.219 -11.325 -11.082 1.00 0.00 C ATOM 1436 NE ARG A 91 -1.991 -12.078 -12.067 1.00 0.00 N ATOM 1437 CZ ARG A 91 -2.638 -11.514 -13.081 1.00 0.00 C ATOM 1438 NH1 ARG A 91 -2.604 -10.198 -13.243 1.00 0.00 N ATOM 1439 NH2 ARG A 91 -3.319 -12.266 -13.936 1.00 0.00 N ATOM 0 H ARG A 91 2.846 -11.885 -9.790 1.00 0.00 H new ATOM 0 HA ARG A 91 2.578 -9.885 -11.929 1.00 0.00 H new ATOM 0 HB2 ARG A 91 0.884 -10.749 -9.567 1.00 0.00 H new ATOM 0 HB3 ARG A 91 0.562 -9.255 -10.424 1.00 0.00 H new ATOM 0 HG2 ARG A 91 0.138 -10.443 -12.494 1.00 0.00 H new ATOM 0 HG3 ARG A 91 0.701 -11.954 -11.809 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -1.165 -11.892 -10.153 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -1.733 -10.391 -10.856 1.00 0.00 H new ATOM 0 HE ARG A 91 -2.036 -13.092 -11.971 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -2.080 -9.617 -12.588 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -3.101 -9.767 -14.022 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -3.346 -13.278 -13.815 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -3.815 -11.832 -14.714 1.00 0.00 H new ATOM 1453 N THR A 92 2.544 -7.801 -10.182 1.00 0.00 N ATOM 1454 CA THR A 92 3.048 -6.643 -9.456 1.00 0.00 C ATOM 1455 C THR A 92 1.932 -5.644 -9.172 1.00 0.00 C ATOM 1456 O THR A 92 1.107 -5.355 -10.041 1.00 0.00 O ATOM 1457 CB THR A 92 4.170 -5.934 -10.237 1.00 0.00 C ATOM 1458 OG1 THR A 92 5.231 -6.854 -10.515 1.00 0.00 O ATOM 1459 CG2 THR A 92 4.712 -4.749 -9.451 1.00 0.00 C ATOM 0 H THR A 92 1.745 -7.606 -10.785 1.00 0.00 H new ATOM 0 HA THR A 92 3.450 -7.012 -8.513 1.00 0.00 H new ATOM 0 HB THR A 92 3.753 -5.567 -11.175 1.00 0.00 H new ATOM 0 HG1 THR A 92 5.939 -6.395 -11.013 1.00 0.00 H new ATOM 0 HG21 THR A 92 5.503 -4.264 -10.023 1.00 0.00 H new ATOM 0 HG22 THR A 92 3.908 -4.036 -9.267 1.00 0.00 H new ATOM 0 HG23 THR A 92 5.113 -5.097 -8.499 1.00 0.00 H new ATOM 1467 N LEU A 93 1.911 -5.117 -7.953 1.00 0.00 N ATOM 1468 CA LEU A 93 0.895 -4.149 -7.555 1.00 0.00 C ATOM 1469 C LEU A 93 1.295 -2.738 -7.975 1.00 0.00 C ATOM 1470 O LEU A 93 2.165 -2.119 -7.362 1.00 0.00 O ATOM 1471 CB LEU A 93 0.679 -4.200 -6.041 1.00 0.00 C ATOM 1472 CG LEU A 93 -0.697 -3.754 -5.545 1.00 0.00 C ATOM 1473 CD1 LEU A 93 -1.691 -4.903 -5.624 1.00 0.00 C ATOM 1474 CD2 LEU A 93 -0.604 -3.223 -4.122 1.00 0.00 C ATOM 0 H LEU A 93 2.586 -5.344 -7.223 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.037 -4.409 -8.058 1.00 0.00 H new ATOM 0 HB2 LEU A 93 0.851 -5.222 -5.704 1.00 0.00 H new ATOM 0 HB3 LEU A 93 1.435 -3.576 -5.565 1.00 0.00 H new ATOM 0 HG LEU A 93 -1.052 -2.949 -6.189 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -2.665 -4.567 -5.267 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -1.779 -5.237 -6.658 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.342 -5.729 -5.004 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -1.592 -2.910 -3.785 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -0.228 -4.007 -3.465 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.075 -2.371 -4.095 1.00 0.00 H new ATOM 1486 N ASP A 94 0.652 -2.234 -9.023 1.00 0.00 N ATOM 1487 CA ASP A 94 0.937 -0.894 -9.523 1.00 0.00 C ATOM 1488 C ASP A 94 0.329 0.167 -8.612 1.00 0.00 C ATOM 1489 O ASP A 94 -0.854 0.491 -8.721 1.00 0.00 O ATOM 1490 CB ASP A 94 0.398 -0.733 -10.945 1.00 0.00 C ATOM 1491 CG ASP A 94 0.853 0.560 -11.593 1.00 0.00 C ATOM 1492 OD1 ASP A 94 0.670 1.630 -10.975 1.00 0.00 O ATOM 1493 OD2 ASP A 94 1.392 0.503 -12.719 1.00 0.00 O ATOM 0 H ASP A 94 -0.070 -2.733 -9.543 1.00 0.00 H new ATOM 0 HA ASP A 94 2.019 -0.759 -9.535 1.00 0.00 H new ATOM 0 HB2 ASP A 94 0.727 -1.576 -11.553 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -0.691 -0.761 -10.923 1.00 0.00 H new ATOM 1498 N VAL A 95 1.145 0.706 -7.711 1.00 0.00 N ATOM 1499 CA VAL A 95 0.688 1.731 -6.781 1.00 0.00 C ATOM 1500 C VAL A 95 1.237 3.101 -7.160 1.00 0.00 C ATOM 1501 O VAL A 95 2.402 3.406 -6.906 1.00 0.00 O ATOM 1502 CB VAL A 95 1.108 1.404 -5.335 1.00 0.00 C ATOM 1503 CG1 VAL A 95 0.427 2.347 -4.355 1.00 0.00 C ATOM 1504 CG2 VAL A 95 0.786 -0.046 -5.003 1.00 0.00 C ATOM 0 H VAL A 95 2.127 0.449 -7.606 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.400 1.750 -6.840 1.00 0.00 H new ATOM 0 HB VAL A 95 2.185 1.543 -5.247 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.736 2.101 -3.339 1.00 0.00 H new ATOM 0 HG12 VAL A 95 0.711 3.375 -4.582 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.655 2.242 -4.441 1.00 0.00 H new ATOM 0 HG21 VAL A 95 1.089 -0.261 -3.978 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.286 -0.214 -5.107 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.324 -0.704 -5.686 1.00 0.00 H new ATOM 1514 N ALA A 96 0.390 3.924 -7.768 1.00 0.00 N ATOM 1515 CA ALA A 96 0.789 5.264 -8.181 1.00 0.00 C ATOM 1516 C ALA A 96 -0.197 6.311 -7.674 1.00 0.00 C ATOM 1517 O ALA A 96 -1.411 6.146 -7.798 1.00 0.00 O ATOM 1518 CB ALA A 96 0.908 5.337 -9.696 1.00 0.00 C ATOM 0 H ALA A 96 -0.578 3.686 -7.986 1.00 0.00 H new ATOM 0 HA ALA A 96 1.763 5.478 -7.741 1.00 0.00 H new ATOM 0 HB1 ALA A 96 1.207 6.343 -9.989 1.00 0.00 H new ATOM 0 HB2 ALA A 96 1.657 4.622 -10.037 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -0.054 5.098 -10.149 1.00 0.00 H new ATOM 1524 N VAL A 97 0.332 7.389 -7.103 1.00 0.00 N ATOM 1525 CA VAL A 97 -0.502 8.463 -6.578 1.00 0.00 C ATOM 1526 C VAL A 97 -0.480 9.677 -7.501 1.00 0.00 C ATOM 1527 O VAL A 97 0.472 10.457 -7.496 1.00 0.00 O ATOM 1528 CB VAL A 97 -0.045 8.893 -5.171 1.00 0.00 C ATOM 1529 CG1 VAL A 97 -0.805 10.129 -4.717 1.00 0.00 C ATOM 1530 CG2 VAL A 97 -0.224 7.752 -4.181 1.00 0.00 C ATOM 0 H VAL A 97 1.335 7.541 -6.992 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.518 8.074 -6.518 1.00 0.00 H new ATOM 0 HB VAL A 97 1.015 9.144 -5.213 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -0.469 10.418 -3.721 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.620 10.946 -5.414 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -1.872 9.910 -4.690 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.104 8.073 -3.192 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -1.275 7.467 -4.140 1.00 0.00 H new ATOM 0 HG23 VAL A 97 0.371 6.897 -4.500 1.00 0.00 H new ATOM 1540 N LYS A 98 -1.537 9.831 -8.291 1.00 0.00 N ATOM 1541 CA LYS A 98 -1.642 10.950 -9.220 1.00 0.00 C ATOM 1542 C LYS A 98 -2.655 11.976 -8.722 1.00 0.00 C ATOM 1543 O LYS A 98 -3.225 11.826 -7.643 1.00 0.00 O ATOM 1544 CB LYS A 98 -2.045 10.452 -10.609 1.00 0.00 C ATOM 1545 CG LYS A 98 -0.912 9.781 -11.367 1.00 0.00 C ATOM 1546 CD LYS A 98 -0.851 8.291 -11.077 1.00 0.00 C ATOM 1547 CE LYS A 98 -0.270 7.518 -12.250 1.00 0.00 C ATOM 1548 NZ LYS A 98 -0.764 6.114 -12.288 1.00 0.00 N ATOM 0 H LYS A 98 -2.334 9.194 -8.307 1.00 0.00 H new ATOM 0 HA LYS A 98 -0.665 11.430 -9.283 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -2.871 9.748 -10.508 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -2.414 11.294 -11.195 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -1.046 9.939 -12.437 1.00 0.00 H new ATOM 0 HG3 LYS A 98 0.035 10.245 -11.092 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -0.244 8.117 -10.189 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -1.852 7.921 -10.856 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -0.532 8.020 -13.181 1.00 0.00 H new ATOM 0 HE3 LYS A 98 0.818 7.519 -12.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 0.043 5.460 -12.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -1.400 5.948 -11.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -1.280 5.952 -13.176 1.00 0.00 H new ATOM 1562 N ASN A 99 -2.875 13.018 -9.518 1.00 0.00 N ATOM 1563 CA ASN A 99 -3.821 14.068 -9.158 1.00 0.00 C ATOM 1564 C ASN A 99 -4.918 14.196 -10.211 1.00 0.00 C ATOM 1565 O ASN A 99 -4.648 14.525 -11.366 1.00 0.00 O ATOM 1566 CB ASN A 99 -3.094 15.405 -8.998 1.00 0.00 C ATOM 1567 CG ASN A 99 -4.007 16.592 -9.235 1.00 0.00 C ATOM 1568 OD1 ASN A 99 -5.143 16.620 -8.760 1.00 0.00 O ATOM 1569 ND2 ASN A 99 -3.515 17.579 -9.973 1.00 0.00 N ATOM 0 H ASN A 99 -2.411 13.157 -10.416 1.00 0.00 H new ATOM 0 HA ASN A 99 -4.283 13.797 -8.209 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -2.673 15.469 -7.995 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -2.259 15.447 -9.697 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -4.084 18.403 -10.167 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -2.568 17.513 -10.346 1.00 0.00 H new ATOM 1576 N SER A 100 -6.155 13.935 -9.803 1.00 0.00 N ATOM 1577 CA SER A 100 -7.293 14.017 -10.711 1.00 0.00 C ATOM 1578 C SER A 100 -7.564 15.464 -11.112 1.00 0.00 C ATOM 1579 O SER A 100 -7.574 16.362 -10.271 1.00 0.00 O ATOM 1580 CB SER A 100 -8.539 13.416 -10.058 1.00 0.00 C ATOM 1581 OG SER A 100 -9.658 13.496 -10.923 1.00 0.00 O ATOM 0 H SER A 100 -6.395 13.665 -8.849 1.00 0.00 H new ATOM 0 HA SER A 100 -7.052 13.447 -11.608 1.00 0.00 H new ATOM 0 HB2 SER A 100 -8.350 12.374 -9.798 1.00 0.00 H new ATOM 0 HB3 SER A 100 -8.756 13.942 -9.128 1.00 0.00 H new ATOM 0 HG SER A 100 -10.441 13.104 -10.483 1.00 0.00 H new ATOM 1587 N GLY A 101 -7.784 15.682 -12.406 1.00 0.00 N ATOM 1588 CA GLY A 101 -8.051 17.021 -12.897 1.00 0.00 C ATOM 1589 C GLY A 101 -9.526 17.371 -12.851 1.00 0.00 C ATOM 1590 O GLY A 101 -10.364 16.624 -13.354 1.00 0.00 O ATOM 0 H GLY A 101 -7.782 14.955 -13.122 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -7.491 17.742 -12.301 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -7.692 17.107 -13.923 1.00 0.00 H new ATOM 1594 N GLY A 102 -9.843 18.511 -12.245 1.00 0.00 N ATOM 1595 CA GLY A 102 -11.226 18.938 -12.145 1.00 0.00 C ATOM 1596 C GLY A 102 -11.948 18.883 -13.477 1.00 0.00 C ATOM 1597 O GLY A 102 -12.384 17.817 -13.912 1.00 0.00 O ATOM 0 H GLY A 102 -9.167 19.146 -11.822 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -11.747 18.305 -11.426 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -11.261 19.956 -11.758 1.00 0.00 H new ATOM 1601 N PHE A 103 -12.076 20.036 -14.127 1.00 0.00 N ATOM 1602 CA PHE A 103 -12.752 20.115 -15.416 1.00 0.00 C ATOM 1603 C PHE A 103 -11.759 19.946 -16.563 1.00 0.00 C ATOM 1604 O PHE A 103 -11.999 20.407 -17.679 1.00 0.00 O ATOM 1605 CB PHE A 103 -13.482 21.453 -15.551 1.00 0.00 C ATOM 1606 CG PHE A 103 -12.662 22.631 -15.107 1.00 0.00 C ATOM 1607 CD1 PHE A 103 -12.628 23.004 -13.774 1.00 0.00 C ATOM 1608 CD2 PHE A 103 -11.927 23.365 -16.024 1.00 0.00 C ATOM 1609 CE1 PHE A 103 -11.874 24.087 -13.361 1.00 0.00 C ATOM 1610 CE2 PHE A 103 -11.171 24.448 -15.618 1.00 0.00 C ATOM 1611 CZ PHE A 103 -11.146 24.811 -14.285 1.00 0.00 C ATOM 0 H PHE A 103 -11.720 20.927 -13.782 1.00 0.00 H new ATOM 0 HA PHE A 103 -13.480 19.305 -15.467 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -13.774 21.595 -16.592 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -14.400 21.418 -14.964 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -13.197 22.442 -13.048 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -11.945 23.088 -17.068 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -11.854 24.366 -12.318 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -10.600 25.010 -16.342 1.00 0.00 H new ATOM 0 HZ PHE A 103 -10.558 25.659 -13.966 1.00 0.00 H new ATOM 1621 N LEU A 104 -10.644 19.283 -16.278 1.00 0.00 N ATOM 1622 CA LEU A 104 -9.613 19.053 -17.285 1.00 0.00 C ATOM 1623 C LEU A 104 -9.667 17.620 -17.802 1.00 0.00 C ATOM 1624 O LEU A 104 -10.466 16.809 -17.332 1.00 0.00 O ATOM 1625 CB LEU A 104 -8.229 19.345 -16.701 1.00 0.00 C ATOM 1626 CG LEU A 104 -7.773 20.804 -16.754 1.00 0.00 C ATOM 1627 CD1 LEU A 104 -7.061 21.094 -18.066 1.00 0.00 C ATOM 1628 CD2 LEU A 104 -8.958 21.740 -16.569 1.00 0.00 C ATOM 0 H LEU A 104 -10.430 18.895 -15.359 1.00 0.00 H new ATOM 0 HA LEU A 104 -9.798 19.728 -18.121 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.219 19.020 -15.661 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -7.497 18.737 -17.232 1.00 0.00 H new ATOM 0 HG LEU A 104 -7.070 20.975 -15.938 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -6.744 22.137 -18.085 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.188 20.448 -18.157 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.740 20.906 -18.898 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -8.615 22.774 -16.609 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -9.685 21.568 -17.363 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -9.424 21.550 -15.602 1.00 0.00 H new ATOM 1640 N SER A 105 -8.811 17.313 -18.771 1.00 0.00 N ATOM 1641 CA SER A 105 -8.762 15.977 -19.354 1.00 0.00 C ATOM 1642 C SER A 105 -7.491 15.247 -18.933 1.00 0.00 C ATOM 1643 O SER A 105 -6.607 15.827 -18.303 1.00 0.00 O ATOM 1644 CB SER A 105 -8.835 16.060 -20.880 1.00 0.00 C ATOM 1645 OG SER A 105 -7.800 16.878 -21.396 1.00 0.00 O ATOM 0 H SER A 105 -8.142 17.971 -19.169 1.00 0.00 H new ATOM 0 HA SER A 105 -9.621 15.416 -18.987 1.00 0.00 H new ATOM 0 HB2 SER A 105 -8.759 15.060 -21.306 1.00 0.00 H new ATOM 0 HB3 SER A 105 -9.803 16.461 -21.180 1.00 0.00 H new ATOM 0 HG SER A 105 -7.867 16.914 -22.373 1.00 0.00 H new ATOM 1651 N LYS A 106 -7.406 13.969 -19.286 1.00 0.00 N ATOM 1652 CA LYS A 106 -6.243 13.157 -18.947 1.00 0.00 C ATOM 1653 C LYS A 106 -4.967 13.992 -18.983 1.00 0.00 C ATOM 1654 O LYS A 106 -4.840 14.914 -19.789 1.00 0.00 O ATOM 1655 CB LYS A 106 -6.120 11.977 -19.914 1.00 0.00 C ATOM 1656 CG LYS A 106 -5.850 12.392 -21.350 1.00 0.00 C ATOM 1657 CD LYS A 106 -6.290 11.320 -22.333 1.00 0.00 C ATOM 1658 CE LYS A 106 -5.298 10.168 -22.382 1.00 0.00 C ATOM 1659 NZ LYS A 106 -5.904 8.938 -22.963 1.00 0.00 N ATOM 0 H LYS A 106 -8.129 13.473 -19.807 1.00 0.00 H new ATOM 0 HA LYS A 106 -6.379 12.777 -17.935 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -5.315 11.324 -19.576 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -7.040 11.393 -19.880 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -6.376 13.322 -21.566 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -4.786 12.590 -21.478 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -7.272 10.944 -22.047 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -6.392 11.756 -23.327 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -4.431 10.460 -22.975 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -4.939 9.955 -21.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -5.196 8.176 -22.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -6.716 8.644 -22.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -6.224 9.134 -23.933 1.00 0.00 H new ATOM 1673 N ASP A 107 -4.024 13.661 -18.108 1.00 0.00 N ATOM 1674 CA ASP A 107 -2.757 14.380 -18.041 1.00 0.00 C ATOM 1675 C ASP A 107 -1.645 13.472 -17.524 1.00 0.00 C ATOM 1676 O ASP A 107 -1.822 12.752 -16.542 1.00 0.00 O ATOM 1677 CB ASP A 107 -2.889 15.609 -17.141 1.00 0.00 C ATOM 1678 CG ASP A 107 -1.559 16.296 -16.900 1.00 0.00 C ATOM 1679 OD1 ASP A 107 -0.941 16.753 -17.884 1.00 0.00 O ATOM 1680 OD2 ASP A 107 -1.136 16.376 -15.728 1.00 0.00 O ATOM 0 H ASP A 107 -4.113 12.899 -17.435 1.00 0.00 H new ATOM 0 HA ASP A 107 -2.498 14.705 -19.049 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -3.583 16.316 -17.596 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -3.319 15.311 -16.185 1.00 0.00 H new ATOM 1685 N LYS A 108 -0.497 13.512 -18.193 1.00 0.00 N ATOM 1686 CA LYS A 108 0.645 12.694 -17.802 1.00 0.00 C ATOM 1687 C LYS A 108 1.449 13.375 -16.699 1.00 0.00 C ATOM 1688 O LYS A 108 2.626 13.076 -16.501 1.00 0.00 O ATOM 1689 CB LYS A 108 1.544 12.425 -19.011 1.00 0.00 C ATOM 1690 CG LYS A 108 0.837 11.704 -20.146 1.00 0.00 C ATOM 1691 CD LYS A 108 1.424 12.079 -21.496 1.00 0.00 C ATOM 1692 CE LYS A 108 2.651 11.241 -21.823 1.00 0.00 C ATOM 1693 NZ LYS A 108 2.281 9.891 -22.332 1.00 0.00 N ATOM 0 H LYS A 108 -0.333 14.102 -19.009 1.00 0.00 H new ATOM 0 HA LYS A 108 0.267 11.746 -17.420 1.00 0.00 H new ATOM 0 HB2 LYS A 108 1.934 13.373 -19.381 1.00 0.00 H new ATOM 0 HB3 LYS A 108 2.400 11.831 -18.692 1.00 0.00 H new ATOM 0 HG2 LYS A 108 0.917 10.627 -20.000 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -0.225 11.950 -20.129 1.00 0.00 H new ATOM 0 HD2 LYS A 108 0.671 11.942 -22.272 1.00 0.00 H new ATOM 0 HD3 LYS A 108 1.693 13.135 -21.496 1.00 0.00 H new ATOM 0 HE2 LYS A 108 3.255 11.757 -22.569 1.00 0.00 H new ATOM 0 HE3 LYS A 108 3.268 11.136 -20.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 3.144 9.351 -22.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 1.726 9.388 -21.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 1.714 9.990 -23.198 1.00 0.00 H new ATOM 1707 N GLY A 109 0.805 14.291 -15.982 1.00 0.00 N ATOM 1708 CA GLY A 109 1.476 14.998 -14.907 1.00 0.00 C ATOM 1709 C GLY A 109 1.562 14.176 -13.637 1.00 0.00 C ATOM 1710 O GLY A 109 0.993 14.546 -12.609 1.00 0.00 O ATOM 0 H GLY A 109 -0.169 14.556 -16.127 1.00 0.00 H new ATOM 0 HA2 GLY A 109 2.481 15.271 -15.228 1.00 0.00 H new ATOM 0 HA3 GLY A 109 0.944 15.927 -14.700 1.00 0.00 H new ATOM 1714 N LEU A 110 2.272 13.055 -13.706 1.00 0.00 N ATOM 1715 CA LEU A 110 2.429 12.176 -12.552 1.00 0.00 C ATOM 1716 C LEU A 110 3.108 12.907 -11.399 1.00 0.00 C ATOM 1717 O LEU A 110 3.951 13.779 -11.613 1.00 0.00 O ATOM 1718 CB LEU A 110 3.241 10.938 -12.936 1.00 0.00 C ATOM 1719 CG LEU A 110 3.861 10.157 -11.777 1.00 0.00 C ATOM 1720 CD1 LEU A 110 2.822 9.260 -11.122 1.00 0.00 C ATOM 1721 CD2 LEU A 110 5.047 9.336 -12.262 1.00 0.00 C ATOM 0 H LEU A 110 2.748 12.733 -14.549 1.00 0.00 H new ATOM 0 HA LEU A 110 1.437 11.865 -12.226 1.00 0.00 H new ATOM 0 HB2 LEU A 110 2.594 10.264 -13.498 1.00 0.00 H new ATOM 0 HB3 LEU A 110 4.041 11.247 -13.609 1.00 0.00 H new ATOM 0 HG LEU A 110 4.217 10.869 -11.033 1.00 0.00 H new ATOM 0 HD11 LEU A 110 3.281 8.712 -10.299 1.00 0.00 H new ATOM 0 HD12 LEU A 110 2.004 9.870 -10.740 1.00 0.00 H new ATOM 0 HD13 LEU A 110 2.435 8.554 -11.857 1.00 0.00 H new ATOM 0 HD21 LEU A 110 5.476 8.787 -11.424 1.00 0.00 H new ATOM 0 HD22 LEU A 110 4.715 8.632 -13.025 1.00 0.00 H new ATOM 0 HD23 LEU A 110 5.801 10.000 -12.685 1.00 0.00 H new ATOM 1733 N LEU A 111 2.738 12.545 -10.175 1.00 0.00 N ATOM 1734 CA LEU A 111 3.314 13.165 -8.987 1.00 0.00 C ATOM 1735 C LEU A 111 4.251 12.199 -8.269 1.00 0.00 C ATOM 1736 O LEU A 111 5.356 12.568 -7.873 1.00 0.00 O ATOM 1737 CB LEU A 111 2.204 13.619 -8.036 1.00 0.00 C ATOM 1738 CG LEU A 111 1.023 14.344 -8.682 1.00 0.00 C ATOM 1739 CD1 LEU A 111 -0.121 14.488 -7.690 1.00 0.00 C ATOM 1740 CD2 LEU A 111 1.454 15.707 -9.203 1.00 0.00 C ATOM 0 H LEU A 111 2.042 11.825 -9.980 1.00 0.00 H new ATOM 0 HA LEU A 111 3.891 14.034 -9.304 1.00 0.00 H new ATOM 0 HB2 LEU A 111 1.823 12.744 -7.509 1.00 0.00 H new ATOM 0 HB3 LEU A 111 2.642 14.277 -7.286 1.00 0.00 H new ATOM 0 HG LEU A 111 0.673 13.749 -9.526 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -0.953 15.006 -8.167 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -0.447 13.500 -7.365 1.00 0.00 H new ATOM 0 HD13 LEU A 111 0.216 15.061 -6.826 1.00 0.00 H new ATOM 0 HD21 LEU A 111 0.601 16.209 -9.659 1.00 0.00 H new ATOM 0 HD22 LEU A 111 1.830 16.310 -8.377 1.00 0.00 H new ATOM 0 HD23 LEU A 111 2.241 15.580 -9.947 1.00 0.00 H new ATOM 1752 N GLY A 112 3.802 10.958 -8.105 1.00 0.00 N ATOM 1753 CA GLY A 112 4.613 9.958 -7.437 1.00 0.00 C ATOM 1754 C GLY A 112 4.082 8.552 -7.637 1.00 0.00 C ATOM 1755 O GLY A 112 2.870 8.340 -7.694 1.00 0.00 O ATOM 0 H GLY A 112 2.891 10.628 -8.423 1.00 0.00 H new ATOM 0 HA2 GLY A 112 5.635 10.014 -7.812 1.00 0.00 H new ATOM 0 HA3 GLY A 112 4.652 10.180 -6.371 1.00 0.00 H new ATOM 1759 N LYS A 113 4.990 7.588 -7.746 1.00 0.00 N ATOM 1760 CA LYS A 113 4.608 6.195 -7.942 1.00 0.00 C ATOM 1761 C LYS A 113 5.647 5.255 -7.339 1.00 0.00 C ATOM 1762 O LYS A 113 6.817 5.613 -7.203 1.00 0.00 O ATOM 1763 CB LYS A 113 4.439 5.896 -9.433 1.00 0.00 C ATOM 1764 CG LYS A 113 5.717 6.063 -10.236 1.00 0.00 C ATOM 1765 CD LYS A 113 5.481 5.822 -11.718 1.00 0.00 C ATOM 1766 CE LYS A 113 5.646 4.353 -12.077 1.00 0.00 C ATOM 1767 NZ LYS A 113 7.060 4.018 -12.405 1.00 0.00 N ATOM 0 H LYS A 113 5.997 7.746 -7.702 1.00 0.00 H new ATOM 0 HA LYS A 113 3.657 6.031 -7.434 1.00 0.00 H new ATOM 0 HB2 LYS A 113 4.076 4.875 -9.551 1.00 0.00 H new ATOM 0 HB3 LYS A 113 3.674 6.555 -9.843 1.00 0.00 H new ATOM 0 HG2 LYS A 113 6.112 7.068 -10.088 1.00 0.00 H new ATOM 0 HG3 LYS A 113 6.472 5.367 -9.869 1.00 0.00 H new ATOM 0 HD2 LYS A 113 4.478 6.153 -11.986 1.00 0.00 H new ATOM 0 HD3 LYS A 113 6.181 6.421 -12.301 1.00 0.00 H new ATOM 0 HE2 LYS A 113 5.310 3.736 -11.244 1.00 0.00 H new ATOM 0 HE3 LYS A 113 5.009 4.113 -12.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 7.131 3.008 -12.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 7.373 4.589 -13.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 7.665 4.223 -11.584 1.00 0.00 H new ATOM 1781 N VAL A 114 5.213 4.051 -6.981 1.00 0.00 N ATOM 1782 CA VAL A 114 6.107 3.059 -6.395 1.00 0.00 C ATOM 1783 C VAL A 114 5.565 1.648 -6.590 1.00 0.00 C ATOM 1784 O VAL A 114 4.434 1.346 -6.204 1.00 0.00 O ATOM 1785 CB VAL A 114 6.318 3.313 -4.891 1.00 0.00 C ATOM 1786 CG1 VAL A 114 4.999 3.208 -4.141 1.00 0.00 C ATOM 1787 CG2 VAL A 114 7.341 2.340 -4.325 1.00 0.00 C ATOM 0 H VAL A 114 4.248 3.739 -7.086 1.00 0.00 H new ATOM 0 HA VAL A 114 7.064 3.152 -6.909 1.00 0.00 H new ATOM 0 HB VAL A 114 6.702 4.325 -4.762 1.00 0.00 H new ATOM 0 HG11 VAL A 114 5.168 3.391 -3.080 1.00 0.00 H new ATOM 0 HG12 VAL A 114 4.300 3.948 -4.529 1.00 0.00 H new ATOM 0 HG13 VAL A 114 4.582 2.210 -4.275 1.00 0.00 H new ATOM 0 HG21 VAL A 114 7.478 2.534 -3.261 1.00 0.00 H new ATOM 0 HG22 VAL A 114 6.988 1.318 -4.465 1.00 0.00 H new ATOM 0 HG23 VAL A 114 8.292 2.470 -4.843 1.00 0.00 H new ATOM 1797 N LEU A 115 6.377 0.786 -7.191 1.00 0.00 N ATOM 1798 CA LEU A 115 5.980 -0.596 -7.437 1.00 0.00 C ATOM 1799 C LEU A 115 6.402 -1.498 -6.281 1.00 0.00 C ATOM 1800 O LEU A 115 7.326 -1.177 -5.534 1.00 0.00 O ATOM 1801 CB LEU A 115 6.596 -1.100 -8.743 1.00 0.00 C ATOM 1802 CG LEU A 115 6.168 -0.366 -10.014 1.00 0.00 C ATOM 1803 CD1 LEU A 115 4.680 -0.556 -10.265 1.00 0.00 C ATOM 1804 CD2 LEU A 115 6.509 1.114 -9.916 1.00 0.00 C ATOM 0 H LEU A 115 7.315 1.019 -7.517 1.00 0.00 H new ATOM 0 HA LEU A 115 4.894 -0.626 -7.520 1.00 0.00 H new ATOM 0 HB2 LEU A 115 7.681 -1.036 -8.658 1.00 0.00 H new ATOM 0 HB3 LEU A 115 6.347 -2.155 -8.855 1.00 0.00 H new ATOM 0 HG LEU A 115 6.715 -0.790 -10.856 1.00 0.00 H new ATOM 0 HD11 LEU A 115 4.394 -0.026 -11.174 1.00 0.00 H new ATOM 0 HD12 LEU A 115 4.463 -1.618 -10.380 1.00 0.00 H new ATOM 0 HD13 LEU A 115 4.115 -0.160 -9.421 1.00 0.00 H new ATOM 0 HD21 LEU A 115 6.197 1.620 -10.829 1.00 0.00 H new ATOM 0 HD22 LEU A 115 5.990 1.551 -9.063 1.00 0.00 H new ATOM 0 HD23 LEU A 115 7.585 1.232 -9.785 1.00 0.00 H new ATOM 1816 N VAL A 116 5.719 -2.631 -6.141 1.00 0.00 N ATOM 1817 CA VAL A 116 6.025 -3.581 -5.079 1.00 0.00 C ATOM 1818 C VAL A 116 5.956 -5.016 -5.589 1.00 0.00 C ATOM 1819 O VAL A 116 4.934 -5.448 -6.121 1.00 0.00 O ATOM 1820 CB VAL A 116 5.059 -3.424 -3.890 1.00 0.00 C ATOM 1821 CG1 VAL A 116 5.309 -4.508 -2.852 1.00 0.00 C ATOM 1822 CG2 VAL A 116 5.197 -2.041 -3.272 1.00 0.00 C ATOM 0 H VAL A 116 4.951 -2.912 -6.750 1.00 0.00 H new ATOM 0 HA VAL A 116 7.040 -3.365 -4.744 1.00 0.00 H new ATOM 0 HB VAL A 116 4.038 -3.534 -4.256 1.00 0.00 H new ATOM 0 HG11 VAL A 116 4.617 -4.381 -2.019 1.00 0.00 H new ATOM 0 HG12 VAL A 116 5.156 -5.488 -3.305 1.00 0.00 H new ATOM 0 HG13 VAL A 116 6.333 -4.433 -2.487 1.00 0.00 H new ATOM 0 HG21 VAL A 116 4.507 -1.947 -2.433 1.00 0.00 H new ATOM 0 HG22 VAL A 116 6.219 -1.900 -2.919 1.00 0.00 H new ATOM 0 HG23 VAL A 116 4.964 -1.283 -4.020 1.00 0.00 H new ATOM 1832 N ALA A 117 7.051 -5.751 -5.423 1.00 0.00 N ATOM 1833 CA ALA A 117 7.115 -7.139 -5.864 1.00 0.00 C ATOM 1834 C ALA A 117 6.393 -8.059 -4.886 1.00 0.00 C ATOM 1835 O ALA A 117 6.846 -8.263 -3.759 1.00 0.00 O ATOM 1836 CB ALA A 117 8.563 -7.574 -6.030 1.00 0.00 C ATOM 0 H ALA A 117 7.906 -5.408 -4.986 1.00 0.00 H new ATOM 0 HA ALA A 117 6.613 -7.211 -6.829 1.00 0.00 H new ATOM 0 HB1 ALA A 117 8.595 -8.612 -6.360 1.00 0.00 H new ATOM 0 HB2 ALA A 117 9.050 -6.942 -6.773 1.00 0.00 H new ATOM 0 HB3 ALA A 117 9.083 -7.480 -5.077 1.00 0.00 H new ATOM 1842 N LEU A 118 5.266 -8.612 -5.323 1.00 0.00 N ATOM 1843 CA LEU A 118 4.480 -9.511 -4.485 1.00 0.00 C ATOM 1844 C LEU A 118 5.017 -10.937 -4.563 1.00 0.00 C ATOM 1845 O LEU A 118 4.313 -11.894 -4.244 1.00 0.00 O ATOM 1846 CB LEU A 118 3.011 -9.483 -4.911 1.00 0.00 C ATOM 1847 CG LEU A 118 2.480 -8.136 -5.401 1.00 0.00 C ATOM 1848 CD1 LEU A 118 1.015 -8.250 -5.793 1.00 0.00 C ATOM 1849 CD2 LEU A 118 2.667 -7.068 -4.333 1.00 0.00 C ATOM 0 H LEU A 118 4.877 -8.453 -6.252 1.00 0.00 H new ATOM 0 HA LEU A 118 4.559 -9.169 -3.453 1.00 0.00 H new ATOM 0 HB2 LEU A 118 2.869 -10.217 -5.704 1.00 0.00 H new ATOM 0 HB3 LEU A 118 2.402 -9.805 -4.066 1.00 0.00 H new ATOM 0 HG LEU A 118 3.049 -7.842 -6.283 1.00 0.00 H new ATOM 0 HD11 LEU A 118 0.655 -7.281 -6.139 1.00 0.00 H new ATOM 0 HD12 LEU A 118 0.908 -8.984 -6.592 1.00 0.00 H new ATOM 0 HD13 LEU A 118 0.431 -8.567 -4.929 1.00 0.00 H new ATOM 0 HD21 LEU A 118 2.283 -6.116 -4.699 1.00 0.00 H new ATOM 0 HD22 LEU A 118 2.125 -7.355 -3.432 1.00 0.00 H new ATOM 0 HD23 LEU A 118 3.727 -6.967 -4.101 1.00 0.00 H new ATOM 1861 N ALA A 119 6.270 -11.069 -4.988 1.00 0.00 N ATOM 1862 CA ALA A 119 6.902 -12.377 -5.104 1.00 0.00 C ATOM 1863 C ALA A 119 7.552 -12.791 -3.788 1.00 0.00 C ATOM 1864 O ALA A 119 8.472 -13.609 -3.769 1.00 0.00 O ATOM 1865 CB ALA A 119 7.933 -12.368 -6.224 1.00 0.00 C ATOM 0 H ALA A 119 6.866 -10.287 -5.257 1.00 0.00 H new ATOM 0 HA ALA A 119 6.128 -13.107 -5.343 1.00 0.00 H new ATOM 0 HB1 ALA A 119 8.397 -13.351 -6.299 1.00 0.00 H new ATOM 0 HB2 ALA A 119 7.444 -12.125 -7.167 1.00 0.00 H new ATOM 0 HB3 ALA A 119 8.698 -11.622 -6.009 1.00 0.00 H new ATOM 1871 N SER A 120 7.069 -12.220 -2.689 1.00 0.00 N ATOM 1872 CA SER A 120 7.606 -12.526 -1.369 1.00 0.00 C ATOM 1873 C SER A 120 6.751 -13.574 -0.663 1.00 0.00 C ATOM 1874 O SER A 120 5.537 -13.632 -0.857 1.00 0.00 O ATOM 1875 CB SER A 120 7.682 -11.257 -0.518 1.00 0.00 C ATOM 1876 OG SER A 120 8.921 -10.594 -0.701 1.00 0.00 O ATOM 0 H SER A 120 6.306 -11.543 -2.687 1.00 0.00 H new ATOM 0 HA SER A 120 8.611 -12.929 -1.499 1.00 0.00 H new ATOM 0 HB2 SER A 120 6.865 -10.587 -0.785 1.00 0.00 H new ATOM 0 HB3 SER A 120 7.555 -11.513 0.534 1.00 0.00 H new ATOM 0 HG SER A 120 8.944 -9.785 -0.148 1.00 0.00 H new ATOM 1882 N GLU A 121 7.394 -14.401 0.156 1.00 0.00 N ATOM 1883 CA GLU A 121 6.692 -15.447 0.889 1.00 0.00 C ATOM 1884 C GLU A 121 6.127 -14.908 2.201 1.00 0.00 C ATOM 1885 O GLU A 121 5.290 -15.547 2.837 1.00 0.00 O ATOM 1886 CB GLU A 121 7.631 -16.622 1.171 1.00 0.00 C ATOM 1887 CG GLU A 121 7.001 -17.717 2.013 1.00 0.00 C ATOM 1888 CD GLU A 121 7.858 -18.966 2.084 1.00 0.00 C ATOM 1889 OE1 GLU A 121 8.020 -19.635 1.042 1.00 0.00 O ATOM 1890 OE2 GLU A 121 8.369 -19.273 3.181 1.00 0.00 O ATOM 0 H GLU A 121 8.399 -14.366 0.328 1.00 0.00 H new ATOM 0 HA GLU A 121 5.863 -15.793 0.271 1.00 0.00 H new ATOM 0 HB2 GLU A 121 7.960 -17.048 0.223 1.00 0.00 H new ATOM 0 HB3 GLU A 121 8.521 -16.251 1.680 1.00 0.00 H new ATOM 0 HG2 GLU A 121 6.830 -17.341 3.022 1.00 0.00 H new ATOM 0 HG3 GLU A 121 6.026 -17.973 1.598 1.00 0.00 H new ATOM 1897 N GLU A 122 6.593 -13.728 2.598 1.00 0.00 N ATOM 1898 CA GLU A 122 6.136 -13.103 3.833 1.00 0.00 C ATOM 1899 C GLU A 122 4.691 -12.631 3.702 1.00 0.00 C ATOM 1900 O GLU A 122 4.086 -12.171 4.671 1.00 0.00 O ATOM 1901 CB GLU A 122 7.039 -11.922 4.198 1.00 0.00 C ATOM 1902 CG GLU A 122 8.453 -12.331 4.573 1.00 0.00 C ATOM 1903 CD GLU A 122 8.488 -13.357 5.688 1.00 0.00 C ATOM 1904 OE1 GLU A 122 8.532 -12.951 6.868 1.00 0.00 O ATOM 1905 OE2 GLU A 122 8.472 -14.568 5.380 1.00 0.00 O ATOM 0 H GLU A 122 7.286 -13.186 2.082 1.00 0.00 H new ATOM 0 HA GLU A 122 6.186 -13.848 4.627 1.00 0.00 H new ATOM 0 HB2 GLU A 122 7.081 -11.233 3.354 1.00 0.00 H new ATOM 0 HB3 GLU A 122 6.594 -11.379 5.032 1.00 0.00 H new ATOM 0 HG2 GLU A 122 8.954 -12.738 3.695 1.00 0.00 H new ATOM 0 HG3 GLU A 122 9.013 -11.448 4.880 1.00 0.00 H new ATOM 1912 N LEU A 123 4.144 -12.748 2.497 1.00 0.00 N ATOM 1913 CA LEU A 123 2.769 -12.334 2.238 1.00 0.00 C ATOM 1914 C LEU A 123 1.801 -13.037 3.183 1.00 0.00 C ATOM 1915 O LEU A 123 0.816 -12.448 3.630 1.00 0.00 O ATOM 1916 CB LEU A 123 2.391 -12.633 0.786 1.00 0.00 C ATOM 1917 CG LEU A 123 2.666 -11.518 -0.223 1.00 0.00 C ATOM 1918 CD1 LEU A 123 2.515 -12.036 -1.645 1.00 0.00 C ATOM 1919 CD2 LEU A 123 1.737 -10.338 0.019 1.00 0.00 C ATOM 0 H LEU A 123 4.631 -13.126 1.684 1.00 0.00 H new ATOM 0 HA LEU A 123 2.700 -11.260 2.411 1.00 0.00 H new ATOM 0 HB2 LEU A 123 2.931 -13.525 0.468 1.00 0.00 H new ATOM 0 HB3 LEU A 123 1.328 -12.874 0.751 1.00 0.00 H new ATOM 0 HG LEU A 123 3.693 -11.178 -0.089 1.00 0.00 H new ATOM 0 HD11 LEU A 123 2.714 -11.229 -2.349 1.00 0.00 H new ATOM 0 HD12 LEU A 123 3.223 -12.848 -1.814 1.00 0.00 H new ATOM 0 HD13 LEU A 123 1.499 -12.404 -1.792 1.00 0.00 H new ATOM 0 HD21 LEU A 123 1.947 -9.554 -0.709 1.00 0.00 H new ATOM 0 HD22 LEU A 123 0.702 -10.662 -0.086 1.00 0.00 H new ATOM 0 HD23 LEU A 123 1.895 -9.951 1.026 1.00 0.00 H new ATOM 1931 N ALA A 124 2.088 -14.298 3.486 1.00 0.00 N ATOM 1932 CA ALA A 124 1.245 -15.080 4.382 1.00 0.00 C ATOM 1933 C ALA A 124 0.913 -14.296 5.647 1.00 0.00 C ATOM 1934 O ALA A 124 -0.202 -14.372 6.163 1.00 0.00 O ATOM 1935 CB ALA A 124 1.926 -16.394 4.736 1.00 0.00 C ATOM 0 H ALA A 124 2.898 -14.801 3.124 1.00 0.00 H new ATOM 0 HA ALA A 124 0.310 -15.296 3.864 1.00 0.00 H new ATOM 0 HB1 ALA A 124 1.285 -16.967 5.406 1.00 0.00 H new ATOM 0 HB2 ALA A 124 2.106 -16.967 3.827 1.00 0.00 H new ATOM 0 HB3 ALA A 124 2.876 -16.190 5.230 1.00 0.00 H new ATOM 1941 N LYS A 125 1.889 -13.544 6.144 1.00 0.00 N ATOM 1942 CA LYS A 125 1.702 -12.744 7.349 1.00 0.00 C ATOM 1943 C LYS A 125 1.296 -11.317 6.998 1.00 0.00 C ATOM 1944 O LYS A 125 0.229 -10.849 7.393 1.00 0.00 O ATOM 1945 CB LYS A 125 2.986 -12.731 8.182 1.00 0.00 C ATOM 1946 CG LYS A 125 3.272 -14.049 8.880 1.00 0.00 C ATOM 1947 CD LYS A 125 3.980 -15.027 7.958 1.00 0.00 C ATOM 1948 CE LYS A 125 4.466 -16.254 8.714 1.00 0.00 C ATOM 1949 NZ LYS A 125 3.384 -17.262 8.889 1.00 0.00 N ATOM 0 H LYS A 125 2.819 -13.472 5.731 1.00 0.00 H new ATOM 0 HA LYS A 125 0.901 -13.196 7.934 1.00 0.00 H new ATOM 0 HB2 LYS A 125 3.827 -12.483 7.534 1.00 0.00 H new ATOM 0 HB3 LYS A 125 2.916 -11.941 8.930 1.00 0.00 H new ATOM 0 HG2 LYS A 125 3.887 -13.869 9.762 1.00 0.00 H new ATOM 0 HG3 LYS A 125 2.337 -14.488 9.228 1.00 0.00 H new ATOM 0 HD2 LYS A 125 3.302 -15.334 7.162 1.00 0.00 H new ATOM 0 HD3 LYS A 125 4.827 -14.532 7.482 1.00 0.00 H new ATOM 0 HE2 LYS A 125 5.299 -16.706 8.176 1.00 0.00 H new ATOM 0 HE3 LYS A 125 4.843 -15.953 9.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 3.755 -18.083 9.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 2.599 -16.839 9.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 3.041 -17.569 7.956 1.00 0.00 H new ATOM 1963 N GLY A 126 2.155 -10.629 6.251 1.00 0.00 N ATOM 1964 CA GLY A 126 1.867 -9.262 5.858 1.00 0.00 C ATOM 1965 C GLY A 126 2.816 -8.264 6.492 1.00 0.00 C ATOM 1966 O GLY A 126 3.289 -8.471 7.610 1.00 0.00 O ATOM 0 H GLY A 126 3.045 -10.994 5.911 1.00 0.00 H new ATOM 0 HA2 GLY A 126 1.929 -9.179 4.773 1.00 0.00 H new ATOM 0 HA3 GLY A 126 0.843 -9.014 6.139 1.00 0.00 H new ATOM 1970 N TRP A 127 3.095 -7.180 5.778 1.00 0.00 N ATOM 1971 CA TRP A 127 3.995 -6.147 6.278 1.00 0.00 C ATOM 1972 C TRP A 127 3.438 -4.756 5.996 1.00 0.00 C ATOM 1973 O TRP A 127 2.620 -4.575 5.093 1.00 0.00 O ATOM 1974 CB TRP A 127 5.378 -6.294 5.640 1.00 0.00 C ATOM 1975 CG TRP A 127 5.408 -5.912 4.191 1.00 0.00 C ATOM 1976 CD1 TRP A 127 5.631 -4.666 3.677 1.00 0.00 C ATOM 1977 CD2 TRP A 127 5.205 -6.780 3.071 1.00 0.00 C ATOM 1978 NE1 TRP A 127 5.579 -4.709 2.304 1.00 0.00 N ATOM 1979 CE2 TRP A 127 5.321 -5.994 1.908 1.00 0.00 C ATOM 1980 CE3 TRP A 127 4.940 -8.146 2.937 1.00 0.00 C ATOM 1981 CZ2 TRP A 127 5.179 -6.530 0.631 1.00 0.00 C ATOM 1982 CZ3 TRP A 127 4.799 -8.676 1.669 1.00 0.00 C ATOM 1983 CH2 TRP A 127 4.919 -7.869 0.529 1.00 0.00 C ATOM 0 H TRP A 127 2.711 -6.993 4.852 1.00 0.00 H new ATOM 0 HA TRP A 127 4.085 -6.270 7.357 1.00 0.00 H new ATOM 0 HB2 TRP A 127 6.090 -5.675 6.186 1.00 0.00 H new ATOM 0 HB3 TRP A 127 5.710 -7.327 5.743 1.00 0.00 H new ATOM 0 HD1 TRP A 127 5.820 -3.779 4.263 1.00 0.00 H new ATOM 0 HE1 TRP A 127 5.711 -3.912 1.681 1.00 0.00 H new ATOM 0 HE3 TRP A 127 4.847 -8.776 3.809 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 5.271 -5.910 -0.249 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 4.593 -9.730 1.554 1.00 0.00 H new ATOM 0 HH2 TRP A 127 4.804 -8.313 -0.449 1.00 0.00 H new ATOM 1994 N THR A 128 3.885 -3.775 6.774 1.00 0.00 N ATOM 1995 CA THR A 128 3.429 -2.401 6.609 1.00 0.00 C ATOM 1996 C THR A 128 4.604 -1.429 6.603 1.00 0.00 C ATOM 1997 O THR A 128 5.429 -1.434 7.516 1.00 0.00 O ATOM 1998 CB THR A 128 2.448 -1.995 7.725 1.00 0.00 C ATOM 1999 OG1 THR A 128 1.319 -2.876 7.728 1.00 0.00 O ATOM 2000 CG2 THR A 128 1.979 -0.561 7.539 1.00 0.00 C ATOM 0 H THR A 128 4.563 -3.907 7.525 1.00 0.00 H new ATOM 0 HA THR A 128 2.915 -2.353 5.649 1.00 0.00 H new ATOM 0 HB THR A 128 2.968 -2.068 8.680 1.00 0.00 H new ATOM 0 HG1 THR A 128 0.700 -2.613 8.441 1.00 0.00 H new ATOM 0 HG21 THR A 128 1.287 -0.298 8.339 1.00 0.00 H new ATOM 0 HG22 THR A 128 2.838 0.109 7.567 1.00 0.00 H new ATOM 0 HG23 THR A 128 1.475 -0.465 6.577 1.00 0.00 H new ATOM 2008 N GLN A 129 4.672 -0.597 5.569 1.00 0.00 N ATOM 2009 CA GLN A 129 5.747 0.381 5.446 1.00 0.00 C ATOM 2010 C GLN A 129 5.345 1.518 4.512 1.00 0.00 C ATOM 2011 O GLN A 129 4.441 1.368 3.689 1.00 0.00 O ATOM 2012 CB GLN A 129 7.020 -0.292 4.930 1.00 0.00 C ATOM 2013 CG GLN A 129 7.015 -0.534 3.429 1.00 0.00 C ATOM 2014 CD GLN A 129 8.239 -1.294 2.956 1.00 0.00 C ATOM 2015 OE1 GLN A 129 8.296 -2.520 3.047 1.00 0.00 O ATOM 2016 NE2 GLN A 129 9.227 -0.567 2.447 1.00 0.00 N ATOM 0 H GLN A 129 3.996 -0.580 4.805 1.00 0.00 H new ATOM 0 HA GLN A 129 5.939 0.798 6.434 1.00 0.00 H new ATOM 0 HB2 GLN A 129 7.879 0.328 5.187 1.00 0.00 H new ATOM 0 HB3 GLN A 129 7.151 -1.245 5.443 1.00 0.00 H new ATOM 0 HG2 GLN A 129 6.119 -1.092 3.158 1.00 0.00 H new ATOM 0 HG3 GLN A 129 6.964 0.423 2.911 1.00 0.00 H new ATOM 0 HE21 GLN A 129 9.137 0.447 2.391 1.00 0.00 H new ATOM 0 HE22 GLN A 129 10.076 -1.023 2.112 1.00 0.00 H new ATOM 2025 N TRP A 130 6.020 2.653 4.646 1.00 0.00 N ATOM 2026 CA TRP A 130 5.732 3.816 3.814 1.00 0.00 C ATOM 2027 C TRP A 130 6.517 3.759 2.508 1.00 0.00 C ATOM 2028 O TRP A 130 7.700 4.100 2.468 1.00 0.00 O ATOM 2029 CB TRP A 130 6.066 5.104 4.568 1.00 0.00 C ATOM 2030 CG TRP A 130 5.037 5.476 5.593 1.00 0.00 C ATOM 2031 CD1 TRP A 130 4.982 5.053 6.890 1.00 0.00 C ATOM 2032 CD2 TRP A 130 3.915 6.344 5.404 1.00 0.00 C ATOM 2033 NE1 TRP A 130 3.893 5.607 7.519 1.00 0.00 N ATOM 2034 CE2 TRP A 130 3.222 6.403 6.629 1.00 0.00 C ATOM 2035 CE3 TRP A 130 3.428 7.079 4.319 1.00 0.00 C ATOM 2036 CZ2 TRP A 130 2.070 7.167 6.797 1.00 0.00 C ATOM 2037 CZ3 TRP A 130 2.284 7.836 4.487 1.00 0.00 C ATOM 2038 CH2 TRP A 130 1.616 7.876 5.719 1.00 0.00 C ATOM 0 H TRP A 130 6.770 2.793 5.322 1.00 0.00 H new ATOM 0 HA TRP A 130 4.668 3.807 3.577 1.00 0.00 H new ATOM 0 HB2 TRP A 130 7.032 4.989 5.059 1.00 0.00 H new ATOM 0 HB3 TRP A 130 6.167 5.920 3.852 1.00 0.00 H new ATOM 0 HD1 TRP A 130 5.690 4.382 7.353 1.00 0.00 H new ATOM 0 HE1 TRP A 130 3.627 5.451 8.491 1.00 0.00 H new ATOM 0 HE3 TRP A 130 3.937 7.056 3.367 1.00 0.00 H new ATOM 0 HZ2 TRP A 130 1.553 7.199 7.745 1.00 0.00 H new ATOM 0 HZ3 TRP A 130 1.898 8.406 3.655 1.00 0.00 H new ATOM 0 HH2 TRP A 130 0.725 8.479 5.819 1.00 0.00 H new ATOM 2049 N TYR A 131 5.853 3.327 1.442 1.00 0.00 N ATOM 2050 CA TYR A 131 6.491 3.224 0.134 1.00 0.00 C ATOM 2051 C TYR A 131 6.834 4.605 -0.415 1.00 0.00 C ATOM 2052 O TYR A 131 5.966 5.320 -0.916 1.00 0.00 O ATOM 2053 CB TYR A 131 5.577 2.486 -0.845 1.00 0.00 C ATOM 2054 CG TYR A 131 5.209 1.090 -0.396 1.00 0.00 C ATOM 2055 CD1 TYR A 131 6.127 0.290 0.274 1.00 0.00 C ATOM 2056 CD2 TYR A 131 3.944 0.570 -0.642 1.00 0.00 C ATOM 2057 CE1 TYR A 131 5.796 -0.986 0.685 1.00 0.00 C ATOM 2058 CE2 TYR A 131 3.604 -0.705 -0.233 1.00 0.00 C ATOM 2059 CZ TYR A 131 4.533 -1.479 0.430 1.00 0.00 C ATOM 2060 OH TYR A 131 4.199 -2.750 0.839 1.00 0.00 O ATOM 0 H TYR A 131 4.874 3.042 1.457 1.00 0.00 H new ATOM 0 HA TYR A 131 7.416 2.660 0.252 1.00 0.00 H new ATOM 0 HB2 TYR A 131 4.665 3.066 -0.985 1.00 0.00 H new ATOM 0 HB3 TYR A 131 6.070 2.428 -1.816 1.00 0.00 H new ATOM 0 HD1 TYR A 131 7.116 0.673 0.477 1.00 0.00 H new ATOM 0 HD2 TYR A 131 3.214 1.173 -1.162 1.00 0.00 H new ATOM 0 HE1 TYR A 131 6.522 -1.595 1.203 1.00 0.00 H new ATOM 0 HE2 TYR A 131 2.616 -1.093 -0.431 1.00 0.00 H new ATOM 0 HH TYR A 131 3.442 -2.706 1.459 1.00 0.00 H new ATOM 2070 N ASP A 132 8.107 4.974 -0.317 1.00 0.00 N ATOM 2071 CA ASP A 132 8.567 6.268 -0.805 1.00 0.00 C ATOM 2072 C ASP A 132 8.377 6.379 -2.315 1.00 0.00 C ATOM 2073 O ASP A 132 9.015 5.662 -3.086 1.00 0.00 O ATOM 2074 CB ASP A 132 10.040 6.478 -0.448 1.00 0.00 C ATOM 2075 CG ASP A 132 10.417 5.814 0.862 1.00 0.00 C ATOM 2076 OD1 ASP A 132 9.505 5.516 1.660 1.00 0.00 O ATOM 2077 OD2 ASP A 132 11.626 5.595 1.090 1.00 0.00 O ATOM 0 H ASP A 132 8.838 4.395 0.096 1.00 0.00 H new ATOM 0 HA ASP A 132 7.970 7.042 -0.324 1.00 0.00 H new ATOM 0 HB2 ASP A 132 10.665 6.080 -1.247 1.00 0.00 H new ATOM 0 HB3 ASP A 132 10.247 7.546 -0.384 1.00 0.00 H new ATOM 2082 N LEU A 133 7.495 7.282 -2.730 1.00 0.00 N ATOM 2083 CA LEU A 133 7.219 7.486 -4.148 1.00 0.00 C ATOM 2084 C LEU A 133 8.471 7.949 -4.885 1.00 0.00 C ATOM 2085 O LEU A 133 9.271 8.718 -4.351 1.00 0.00 O ATOM 2086 CB LEU A 133 6.099 8.513 -4.327 1.00 0.00 C ATOM 2087 CG LEU A 133 4.700 8.059 -3.908 1.00 0.00 C ATOM 2088 CD1 LEU A 133 3.753 9.248 -3.837 1.00 0.00 C ATOM 2089 CD2 LEU A 133 4.169 7.009 -4.873 1.00 0.00 C ATOM 0 H LEU A 133 6.959 7.884 -2.105 1.00 0.00 H new ATOM 0 HA LEU A 133 6.902 6.533 -4.572 1.00 0.00 H new ATOM 0 HB2 LEU A 133 6.356 9.405 -3.756 1.00 0.00 H new ATOM 0 HB3 LEU A 133 6.065 8.805 -5.377 1.00 0.00 H new ATOM 0 HG LEU A 133 4.765 7.612 -2.916 1.00 0.00 H new ATOM 0 HD11 LEU A 133 2.762 8.907 -3.537 1.00 0.00 H new ATOM 0 HD12 LEU A 133 4.125 9.967 -3.107 1.00 0.00 H new ATOM 0 HD13 LEU A 133 3.692 9.724 -4.816 1.00 0.00 H new ATOM 0 HD21 LEU A 133 3.173 6.697 -4.559 1.00 0.00 H new ATOM 0 HD22 LEU A 133 4.118 7.430 -5.877 1.00 0.00 H new ATOM 0 HD23 LEU A 133 4.835 6.146 -4.875 1.00 0.00 H new ATOM 2101 N THR A 134 8.635 7.477 -6.117 1.00 0.00 N ATOM 2102 CA THR A 134 9.789 7.844 -6.929 1.00 0.00 C ATOM 2103 C THR A 134 9.357 8.378 -8.289 1.00 0.00 C ATOM 2104 O THR A 134 8.176 8.342 -8.633 1.00 0.00 O ATOM 2105 CB THR A 134 10.732 6.644 -7.137 1.00 0.00 C ATOM 2106 OG1 THR A 134 10.027 5.569 -7.767 1.00 0.00 O ATOM 2107 CG2 THR A 134 11.307 6.171 -5.810 1.00 0.00 C ATOM 0 H THR A 134 7.983 6.840 -6.574 1.00 0.00 H new ATOM 0 HA THR A 134 10.321 8.626 -6.388 1.00 0.00 H new ATOM 0 HB THR A 134 11.554 6.964 -7.778 1.00 0.00 H new ATOM 0 HG1 THR A 134 10.634 4.811 -7.897 1.00 0.00 H new ATOM 0 HG21 THR A 134 11.970 5.323 -5.982 1.00 0.00 H new ATOM 0 HG22 THR A 134 11.869 6.982 -5.347 1.00 0.00 H new ATOM 0 HG23 THR A 134 10.495 5.868 -5.149 1.00 0.00 H new ATOM 2115 N GLU A 135 10.321 8.872 -9.059 1.00 0.00 N ATOM 2116 CA GLU A 135 10.039 9.414 -10.383 1.00 0.00 C ATOM 2117 C GLU A 135 9.871 8.294 -11.405 1.00 0.00 C ATOM 2118 O GLU A 135 10.289 7.160 -11.173 1.00 0.00 O ATOM 2119 CB GLU A 135 11.161 10.357 -10.823 1.00 0.00 C ATOM 2120 CG GLU A 135 11.488 11.432 -9.801 1.00 0.00 C ATOM 2121 CD GLU A 135 12.808 12.124 -10.084 1.00 0.00 C ATOM 2122 OE1 GLU A 135 12.917 12.788 -11.135 1.00 0.00 O ATOM 2123 OE2 GLU A 135 13.732 12.000 -9.252 1.00 0.00 O ATOM 0 H GLU A 135 11.304 8.908 -8.789 1.00 0.00 H new ATOM 0 HA GLU A 135 9.105 9.974 -10.326 1.00 0.00 H new ATOM 0 HB2 GLU A 135 12.059 9.772 -11.022 1.00 0.00 H new ATOM 0 HB3 GLU A 135 10.877 10.834 -11.761 1.00 0.00 H new ATOM 0 HG2 GLU A 135 10.689 12.173 -9.790 1.00 0.00 H new ATOM 0 HG3 GLU A 135 11.522 10.985 -8.807 1.00 0.00 H new ATOM 2130 N ASP A 136 9.254 8.620 -12.536 1.00 0.00 N ATOM 2131 CA ASP A 136 9.031 7.643 -13.595 1.00 0.00 C ATOM 2132 C ASP A 136 10.272 7.494 -14.469 1.00 0.00 C ATOM 2133 O ASP A 136 10.387 8.133 -15.515 1.00 0.00 O ATOM 2134 CB ASP A 136 7.833 8.054 -14.453 1.00 0.00 C ATOM 2135 CG ASP A 136 7.880 9.517 -14.848 1.00 0.00 C ATOM 2136 OD1 ASP A 136 8.972 10.118 -14.773 1.00 0.00 O ATOM 2137 OD2 ASP A 136 6.824 10.060 -15.234 1.00 0.00 O ATOM 0 H ASP A 136 8.899 9.554 -12.743 1.00 0.00 H new ATOM 0 HA ASP A 136 8.821 6.680 -13.129 1.00 0.00 H new ATOM 0 HB2 ASP A 136 7.805 7.438 -15.352 1.00 0.00 H new ATOM 0 HB3 ASP A 136 6.912 7.858 -13.904 1.00 0.00 H new ATOM 2142 N SER A 137 11.200 6.648 -14.032 1.00 0.00 N ATOM 2143 CA SER A 137 12.435 6.420 -14.772 1.00 0.00 C ATOM 2144 C SER A 137 12.142 6.114 -16.237 1.00 0.00 C ATOM 2145 O SER A 137 12.702 6.738 -17.137 1.00 0.00 O ATOM 2146 CB SER A 137 13.224 5.268 -14.146 1.00 0.00 C ATOM 2147 OG SER A 137 13.753 5.638 -12.884 1.00 0.00 O ATOM 0 H SER A 137 11.120 6.110 -13.169 1.00 0.00 H new ATOM 0 HA SER A 137 13.033 7.330 -14.722 1.00 0.00 H new ATOM 0 HB2 SER A 137 12.576 4.399 -14.031 1.00 0.00 H new ATOM 0 HB3 SER A 137 14.035 4.975 -14.812 1.00 0.00 H new ATOM 0 HG SER A 137 14.251 4.884 -12.504 1.00 0.00 H new ATOM 2153 N GLY A 138 11.259 5.147 -16.468 1.00 0.00 N ATOM 2154 CA GLY A 138 10.906 4.773 -17.825 1.00 0.00 C ATOM 2155 C GLY A 138 10.815 3.271 -18.008 1.00 0.00 C ATOM 2156 O GLY A 138 11.781 2.612 -18.394 1.00 0.00 O ATOM 0 H GLY A 138 10.782 4.616 -15.739 1.00 0.00 H new ATOM 0 HA2 GLY A 138 9.950 5.226 -18.086 1.00 0.00 H new ATOM 0 HA3 GLY A 138 11.648 5.175 -18.514 1.00 0.00 H new ATOM 2160 N PRO A 139 9.631 2.707 -17.726 1.00 0.00 N ATOM 2161 CA PRO A 139 9.390 1.267 -17.853 1.00 0.00 C ATOM 2162 C PRO A 139 9.372 0.809 -19.308 1.00 0.00 C ATOM 2163 O PRO A 139 9.639 -0.356 -19.605 1.00 0.00 O ATOM 2164 CB PRO A 139 8.011 1.081 -17.217 1.00 0.00 C ATOM 2165 CG PRO A 139 7.344 2.405 -17.364 1.00 0.00 C ATOM 2166 CD PRO A 139 8.437 3.433 -17.261 1.00 0.00 C ATOM 0 HA PRO A 139 10.176 0.679 -17.379 1.00 0.00 H new ATOM 0 HB2 PRO A 139 7.446 0.295 -17.719 1.00 0.00 H new ATOM 0 HB3 PRO A 139 8.094 0.794 -16.169 1.00 0.00 H new ATOM 0 HG2 PRO A 139 6.829 2.478 -18.322 1.00 0.00 H new ATOM 0 HG3 PRO A 139 6.595 2.553 -16.586 1.00 0.00 H new ATOM 0 HD2 PRO A 139 8.229 4.304 -17.882 1.00 0.00 H new ATOM 0 HD3 PRO A 139 8.557 3.791 -16.239 1.00 0.00 H new ATOM 2174 N SER A 140 9.057 1.731 -20.210 1.00 0.00 N ATOM 2175 CA SER A 140 9.001 1.421 -21.634 1.00 0.00 C ATOM 2176 C SER A 140 9.713 2.493 -22.453 1.00 0.00 C ATOM 2177 O SER A 140 9.310 3.656 -22.458 1.00 0.00 O ATOM 2178 CB SER A 140 7.547 1.294 -22.093 1.00 0.00 C ATOM 2179 OG SER A 140 7.464 0.645 -23.350 1.00 0.00 O ATOM 0 H SER A 140 8.836 2.700 -19.981 1.00 0.00 H new ATOM 0 HA SER A 140 9.510 0.470 -21.793 1.00 0.00 H new ATOM 0 HB2 SER A 140 6.976 0.734 -21.353 1.00 0.00 H new ATOM 0 HB3 SER A 140 7.096 2.284 -22.161 1.00 0.00 H new ATOM 0 HG SER A 140 6.525 0.575 -23.620 1.00 0.00 H new ATOM 2185 N SER A 141 10.776 2.093 -23.143 1.00 0.00 N ATOM 2186 CA SER A 141 11.549 3.019 -23.963 1.00 0.00 C ATOM 2187 C SER A 141 10.721 3.520 -25.142 1.00 0.00 C ATOM 2188 O SER A 141 9.811 2.838 -25.612 1.00 0.00 O ATOM 2189 CB SER A 141 12.824 2.343 -24.470 1.00 0.00 C ATOM 2190 OG SER A 141 13.792 3.303 -24.854 1.00 0.00 O ATOM 0 H SER A 141 11.122 1.134 -23.151 1.00 0.00 H new ATOM 0 HA SER A 141 11.822 3.874 -23.344 1.00 0.00 H new ATOM 0 HB2 SER A 141 13.234 1.701 -23.690 1.00 0.00 H new ATOM 0 HB3 SER A 141 12.586 1.702 -25.319 1.00 0.00 H new ATOM 0 HG SER A 141 14.598 2.846 -25.173 1.00 0.00 H new ATOM 2196 N GLY A 142 11.045 4.720 -25.617 1.00 0.00 N ATOM 2197 CA GLY A 142 10.323 5.293 -26.737 1.00 0.00 C ATOM 2198 C GLY A 142 9.697 6.632 -26.400 1.00 0.00 C ATOM 2199 O GLY A 142 9.622 7.013 -25.231 1.00 0.00 O ATOM 0 H GLY A 142 11.794 5.304 -25.246 1.00 0.00 H new ATOM 0 HA2 GLY A 142 11.004 5.415 -27.580 1.00 0.00 H new ATOM 0 HA3 GLY A 142 9.543 4.601 -27.055 1.00 0.00 H new TER 2203 GLY A 142