USER MOD reduce.3.24.130724 H: found=0, std=0, add=1084, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1087 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: B 93 ASN : amide:sc= -0.433 K(o=-8.1,f=-5.3) USER MOD Set 1.2: B 97 GLN : amide:sc= -7.69! C(o=-8.1!,f=-5.3!) USER MOD Set 2.1: B 72 HIS : no HD1:sc= -1.14 K(o=-2.5,f=-0.56) USER MOD Set 2.2: B 116 ASN : amide:sc= -1.34 K(o=-2.5,f=-4.7!) USER MOD Set 3.1: B 67 ASN : amide:sc= 1.21 K(o=2.4,f=-2.1!) USER MOD Set 3.2: B 70 LYS NZ :NH3+ -171:sc= 1.22 (180deg=1.2) USER MOD Set 4.1: B 54 TYR OH : rot 15:sc= -0.292 USER MOD Set 4.2: B 61 GLN : amide:sc= 0.449 K(o=1.3,f=-8.7!) USER MOD Set 4.3: B 65 LYS NZ :NH3+ -152:sc= 1.16 (180deg=-0.361) USER MOD Set 5.1: B 57 SER OG : rot 80:sc= 0.806 USER MOD Set 5.2: B 129 LYS NZ :NH3+ -177:sc= 0.959 (180deg=-0.105) USER MOD Set 6.1: A 11 GLN : amide:sc= -3.83! K(o=-3.6!,f=-3) USER MOD Set 6.2: B 134 LYS NZ :NH3+ -135:sc= 0.256 (180deg=-0.155) USER MOD Set 7.1: A 4 MET CE :methyl -164:sc= -0.137 (180deg=-0.816) USER MOD Set 7.2: A 9 ASN : amide:sc= 0.816 K(o=0.68,f=-0.96) USER MOD Set 7.3: A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -117:sc= 0.123 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 ASN : amide:sc= -0.0107 X(o=-0.011,f=0) USER MOD Single : A 27 TYR OH : rot 165:sc= 0 USER MOD Single : A 30 SER OG : rot 80:sc= 1.26 USER MOD Single : A 31 GLN : amide:sc= -0.714 X(o=-0.71,f=-0.26) USER MOD Single : A 32 GLN : amide:sc= -0.977 K(o=-0.98,f=-0.11) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : B 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 43 LYS NZ :NH3+ 140:sc= 1.24 (180deg=0.562) USER MOD Single : B 44 THR OG1 : rot 180:sc= 0 USER MOD Single : B 46 LYS NZ :NH3+ 168:sc= 1.12 (180deg=0.898) USER MOD Single : B 47 THR OG1 : rot 104:sc= 1.26 USER MOD Single : B 48 LYS NZ :NH3+ 172:sc=-0.00286 (180deg=-0.11) USER MOD Single : B 55 GLN : amide:sc= -1.73! X(o=-1.7!,f=-1.4) USER MOD Single : B 56 ASN : amide:sc= -1.47 K(o=-1.5,f=0) USER MOD Single : B 66 TYR OH : rot 180:sc= 0 USER MOD Single : B 68 THR OG1 : rot 180:sc= -0.239 USER MOD Single : B 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 77 TYR OH : rot 180:sc= 0 USER MOD Single : B 81 SER OG : rot 35:sc= 0.406 USER MOD Single : B 82 SER OG : rot -15:sc= 0.864 USER MOD Single : B 83 THR OG1 : rot 180:sc= 0 USER MOD Single : B 85 ASN : amide:sc= -0.162 X(o=-0.16,f=-0.14) USER MOD Single : B 88 SER OG : rot 115:sc= 1.14 USER MOD Single : B 89 SER OG : rot 180:sc= -0.154 USER MOD Single : B 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 92 MET CE :methyl -151:sc= -0.351 (180deg=-1.34!) USER MOD Single : B 94 SER OG : rot 64:sc= 0.0759 USER MOD Single : B 98 LYS NZ :NH3+ -179:sc= 1.21 (180deg=1.17) USER MOD Single : B 103 ASN : amide:sc= 0.482 K(o=0.48,f=-0.16) USER MOD Single : B 104 TYR OH : rot 180:sc= 0 USER MOD Single : B 106 ASN : amide:sc= -1.06 K(o=-1.1,f=-0.029) USER MOD Single : B 107 THR OG1 : rot -12:sc= 1.22 USER MOD Single : B 110 TYR OH : rot 180:sc= 0 USER MOD Single : B 114 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD Single : B 115 TYR OH : rot 102:sc= 0.756 USER MOD Single : B 123 CYS SG : rot 71:sc= 1.25 USER MOD Single : B 124 GLN : amide:sc= -0.193 K(o=-0.19,f=-0.79) USER MOD Single : B 131 ASN : amide:sc= 1.17 K(o=1.2,f=0) USER MOD Single : B 135 LYS NZ :NH3+ -169:sc=-0.00195 (180deg=-0.104) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.083 -14.644 -5.973 1.00 0.00 N ATOM 2 CA GLY A 1 14.658 -14.245 -5.955 1.00 0.00 C ATOM 3 C GLY A 1 14.169 -13.874 -7.337 1.00 0.00 C ATOM 4 O GLY A 1 14.977 -13.747 -8.259 1.00 0.00 O ATOM 0 H1 GLY A 1 16.169 -15.638 -5.678 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.462 -14.535 -6.935 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.621 -14.041 -5.318 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.055 -15.063 -5.562 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.525 -13.399 -5.281 1.00 0.00 H new ATOM 10 N PRO A 2 12.853 -13.699 -7.517 1.00 0.00 N ATOM 11 CA PRO A 2 12.270 -13.347 -8.813 1.00 0.00 C ATOM 12 C PRO A 2 12.643 -11.932 -9.239 1.00 0.00 C ATOM 13 O PRO A 2 12.695 -11.017 -8.413 1.00 0.00 O ATOM 14 CB PRO A 2 10.756 -13.451 -8.582 1.00 0.00 C ATOM 15 CG PRO A 2 10.594 -14.143 -7.268 1.00 0.00 C ATOM 16 CD PRO A 2 11.825 -13.823 -6.476 1.00 0.00 C ATOM 0 HA PRO A 2 12.631 -13.999 -9.608 1.00 0.00 H new ATOM 0 HB2 PRO A 2 10.294 -12.464 -8.564 1.00 0.00 H new ATOM 0 HB3 PRO A 2 10.276 -14.013 -9.383 1.00 0.00 H new ATOM 0 HG2 PRO A 2 9.698 -13.797 -6.753 1.00 0.00 H new ATOM 0 HG3 PRO A 2 10.487 -15.219 -7.405 1.00 0.00 H new ATOM 0 HD2 PRO A 2 11.712 -12.901 -5.906 1.00 0.00 H new ATOM 0 HD3 PRO A 2 12.064 -14.611 -5.762 1.00 0.00 H new ATOM 24 N HIS A 3 12.921 -11.762 -10.523 1.00 0.00 N ATOM 25 CA HIS A 3 13.272 -10.457 -11.065 1.00 0.00 C ATOM 26 C HIS A 3 12.049 -9.561 -11.142 1.00 0.00 C ATOM 27 O HIS A 3 11.232 -9.683 -12.053 1.00 0.00 O ATOM 28 CB HIS A 3 13.900 -10.592 -12.455 1.00 0.00 C ATOM 29 CG HIS A 3 15.164 -11.389 -12.468 1.00 0.00 C ATOM 30 ND1 HIS A 3 16.378 -10.880 -12.071 1.00 0.00 N ATOM 31 CD2 HIS A 3 15.396 -12.672 -12.826 1.00 0.00 C ATOM 32 CE1 HIS A 3 17.301 -11.815 -12.183 1.00 0.00 C ATOM 33 NE2 HIS A 3 16.732 -12.912 -12.639 1.00 0.00 N ATOM 0 H HIS A 3 12.910 -12.514 -11.212 1.00 0.00 H new ATOM 0 HA HIS A 3 14.002 -10.005 -10.393 1.00 0.00 H new ATOM 0 HB2 HIS A 3 13.179 -11.059 -13.126 1.00 0.00 H new ATOM 0 HB3 HIS A 3 14.104 -9.597 -12.850 1.00 0.00 H new ATOM 0 HD2 HIS A 3 14.664 -13.377 -13.192 1.00 0.00 H new ATOM 0 HE1 HIS A 3 18.347 -11.701 -11.941 1.00 0.00 H new ATOM 0 HE2 HIS A 3 17.208 -13.795 -12.823 1.00 0.00 H new ATOM 42 N MET A 4 11.930 -8.666 -10.179 1.00 0.00 N ATOM 43 CA MET A 4 10.813 -7.745 -10.129 1.00 0.00 C ATOM 44 C MET A 4 11.143 -6.477 -10.903 1.00 0.00 C ATOM 45 O MET A 4 12.245 -5.934 -10.784 1.00 0.00 O ATOM 46 CB MET A 4 10.457 -7.418 -8.686 1.00 0.00 C ATOM 47 CG MET A 4 9.992 -8.631 -7.895 1.00 0.00 C ATOM 48 SD MET A 4 9.265 -8.182 -6.311 1.00 0.00 S ATOM 49 CE MET A 4 10.564 -7.136 -5.672 1.00 0.00 C ATOM 0 H MET A 4 12.599 -8.558 -9.417 1.00 0.00 H new ATOM 0 HA MET A 4 9.948 -8.218 -10.594 1.00 0.00 H new ATOM 0 HB2 MET A 4 11.326 -6.983 -8.194 1.00 0.00 H new ATOM 0 HB3 MET A 4 9.672 -6.662 -8.674 1.00 0.00 H new ATOM 0 HG2 MET A 4 9.261 -9.186 -8.483 1.00 0.00 H new ATOM 0 HG3 MET A 4 10.838 -9.298 -7.727 1.00 0.00 H new ATOM 0 HE1 MET A 4 10.425 -6.997 -4.600 1.00 0.00 H new ATOM 0 HE2 MET A 4 11.531 -7.604 -5.854 1.00 0.00 H new ATOM 0 HE3 MET A 4 10.530 -6.168 -6.171 1.00 0.00 H new ATOM 59 N PHE A 5 10.195 -6.020 -11.706 1.00 0.00 N ATOM 60 CA PHE A 5 10.410 -4.860 -12.559 1.00 0.00 C ATOM 61 C PHE A 5 10.299 -3.575 -11.753 1.00 0.00 C ATOM 62 O PHE A 5 9.293 -3.337 -11.078 1.00 0.00 O ATOM 63 CB PHE A 5 9.407 -4.841 -13.707 1.00 0.00 C ATOM 64 CG PHE A 5 9.365 -6.126 -14.486 1.00 0.00 C ATOM 65 CD1 PHE A 5 10.373 -6.440 -15.382 1.00 0.00 C ATOM 66 CD2 PHE A 5 8.319 -7.019 -14.321 1.00 0.00 C ATOM 67 CE1 PHE A 5 10.339 -7.621 -16.098 1.00 0.00 C ATOM 68 CE2 PHE A 5 8.279 -8.201 -15.034 1.00 0.00 C ATOM 69 CZ PHE A 5 9.291 -8.502 -15.925 1.00 0.00 C ATOM 0 H PHE A 5 9.267 -6.435 -11.785 1.00 0.00 H new ATOM 0 HA PHE A 5 11.415 -4.929 -12.974 1.00 0.00 H new ATOM 0 HB2 PHE A 5 8.414 -4.634 -13.308 1.00 0.00 H new ATOM 0 HB3 PHE A 5 9.656 -4.023 -14.383 1.00 0.00 H new ATOM 0 HD1 PHE A 5 11.195 -5.754 -15.523 1.00 0.00 H new ATOM 0 HD2 PHE A 5 7.525 -6.788 -13.626 1.00 0.00 H new ATOM 0 HE1 PHE A 5 11.132 -7.855 -16.793 1.00 0.00 H new ATOM 0 HE2 PHE A 5 7.458 -8.889 -14.895 1.00 0.00 H new ATOM 0 HZ PHE A 5 9.262 -9.425 -16.485 1.00 0.00 H new ATOM 79 N ALA A 6 11.342 -2.758 -11.851 1.00 0.00 N ATOM 80 CA ALA A 6 11.471 -1.521 -11.083 1.00 0.00 C ATOM 81 C ALA A 6 11.569 -1.803 -9.584 1.00 0.00 C ATOM 82 O ALA A 6 11.294 -2.912 -9.120 1.00 0.00 O ATOM 83 CB ALA A 6 10.321 -0.570 -11.382 1.00 0.00 C ATOM 0 H ALA A 6 12.131 -2.936 -12.472 1.00 0.00 H new ATOM 0 HA ALA A 6 12.398 -1.038 -11.391 1.00 0.00 H new ATOM 0 HB1 ALA A 6 10.442 0.342 -10.797 1.00 0.00 H new ATOM 0 HB2 ALA A 6 10.320 -0.323 -12.444 1.00 0.00 H new ATOM 0 HB3 ALA A 6 9.377 -1.047 -11.119 1.00 0.00 H new ATOM 89 N ASN A 7 11.984 -0.801 -8.828 1.00 0.00 N ATOM 90 CA ASN A 7 12.175 -0.967 -7.395 1.00 0.00 C ATOM 91 C ASN A 7 11.225 -0.078 -6.617 1.00 0.00 C ATOM 92 O ASN A 7 11.239 -0.067 -5.386 1.00 0.00 O ATOM 93 CB ASN A 7 13.617 -0.661 -6.998 1.00 0.00 C ATOM 94 CG ASN A 7 14.604 -1.528 -7.746 1.00 0.00 C ATOM 95 OD1 ASN A 7 14.983 -2.606 -7.286 1.00 0.00 O ATOM 96 ND2 ASN A 7 15.021 -1.070 -8.914 1.00 0.00 N ATOM 0 H ASN A 7 12.195 0.133 -9.180 1.00 0.00 H new ATOM 0 HA ASN A 7 11.960 -2.007 -7.151 1.00 0.00 H new ATOM 0 HB2 ASN A 7 13.833 0.389 -7.196 1.00 0.00 H new ATOM 0 HB3 ASN A 7 13.739 -0.815 -5.926 1.00 0.00 H new ATOM 0 HD21 ASN A 7 15.681 -1.615 -9.469 1.00 0.00 H new ATOM 0 HD22 ASN A 7 14.683 -0.172 -9.260 1.00 0.00 H new ATOM 103 N GLU A 8 10.405 0.673 -7.340 1.00 0.00 N ATOM 104 CA GLU A 8 9.405 1.520 -6.709 1.00 0.00 C ATOM 105 C GLU A 8 8.463 0.683 -5.856 1.00 0.00 C ATOM 106 O GLU A 8 8.246 0.994 -4.690 1.00 0.00 O ATOM 107 CB GLU A 8 8.643 2.357 -7.751 1.00 0.00 C ATOM 108 CG GLU A 8 8.426 1.678 -9.103 1.00 0.00 C ATOM 109 CD GLU A 8 7.138 0.883 -9.194 1.00 0.00 C ATOM 110 OE1 GLU A 8 6.070 1.491 -9.425 1.00 0.00 O1- ATOM 111 OE2 GLU A 8 7.195 -0.354 -9.064 1.00 0.00 O ATOM 0 H GLU A 8 10.413 0.712 -8.359 1.00 0.00 H new ATOM 0 HA GLU A 8 9.915 2.223 -6.051 1.00 0.00 H new ATOM 0 HB2 GLU A 8 7.671 2.624 -7.337 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.187 3.287 -7.914 1.00 0.00 H new ATOM 0 HG2 GLU A 8 8.428 2.438 -9.884 1.00 0.00 H new ATOM 0 HG3 GLU A 8 9.266 1.013 -9.303 1.00 0.00 H new ATOM 118 N ASN A 9 7.946 -0.395 -6.433 1.00 0.00 N ATOM 119 CA ASN A 9 7.105 -1.347 -5.708 1.00 0.00 C ATOM 120 C ASN A 9 7.797 -1.849 -4.449 1.00 0.00 C ATOM 121 O ASN A 9 7.176 -1.948 -3.398 1.00 0.00 O ATOM 122 CB ASN A 9 6.739 -2.529 -6.608 1.00 0.00 C ATOM 123 CG ASN A 9 7.954 -3.158 -7.260 1.00 0.00 C ATOM 124 OD1 ASN A 9 8.572 -4.072 -6.715 1.00 0.00 O ATOM 125 ND2 ASN A 9 8.315 -2.651 -8.424 1.00 0.00 N ATOM 0 H ASN A 9 8.096 -0.636 -7.413 1.00 0.00 H new ATOM 0 HA ASN A 9 6.194 -0.827 -5.412 1.00 0.00 H new ATOM 0 HB2 ASN A 9 6.216 -3.282 -6.019 1.00 0.00 H new ATOM 0 HB3 ASN A 9 6.048 -2.193 -7.381 1.00 0.00 H new ATOM 0 HD21 ASN A 9 9.135 -3.017 -8.907 1.00 0.00 H new ATOM 0 HD22 ASN A 9 7.774 -1.893 -8.840 1.00 0.00 H new ATOM 132 N SER A 10 9.088 -2.129 -4.554 1.00 0.00 N ATOM 133 CA SER A 10 9.858 -2.635 -3.431 1.00 0.00 C ATOM 134 C SER A 10 9.797 -1.665 -2.250 1.00 0.00 C ATOM 135 O SER A 10 9.672 -2.079 -1.097 1.00 0.00 O ATOM 136 CB SER A 10 11.302 -2.873 -3.867 1.00 0.00 C ATOM 137 OG SER A 10 11.339 -3.697 -5.023 1.00 0.00 O ATOM 0 H SER A 10 9.626 -2.013 -5.413 1.00 0.00 H new ATOM 0 HA SER A 10 9.428 -3.581 -3.103 1.00 0.00 H new ATOM 0 HB2 SER A 10 11.788 -1.920 -4.076 1.00 0.00 H new ATOM 0 HB3 SER A 10 11.860 -3.344 -3.058 1.00 0.00 H new ATOM 0 HG SER A 10 12.270 -3.840 -5.293 1.00 0.00 H new ATOM 143 N GLN A 11 9.856 -0.374 -2.550 1.00 0.00 N ATOM 144 CA GLN A 11 9.776 0.653 -1.523 1.00 0.00 C ATOM 145 C GLN A 11 8.321 0.903 -1.127 1.00 0.00 C ATOM 146 O GLN A 11 8.018 1.164 0.039 1.00 0.00 O ATOM 147 CB GLN A 11 10.419 1.940 -2.027 1.00 0.00 C ATOM 148 CG GLN A 11 11.784 1.723 -2.660 1.00 0.00 C ATOM 149 CD GLN A 11 12.589 2.998 -2.779 1.00 0.00 C ATOM 150 OE1 GLN A 11 13.381 3.164 -3.706 1.00 0.00 O ATOM 151 NE2 GLN A 11 12.410 3.893 -1.827 1.00 0.00 N ATOM 0 H GLN A 11 9.959 -0.014 -3.499 1.00 0.00 H new ATOM 0 HA GLN A 11 10.315 0.310 -0.640 1.00 0.00 H new ATOM 0 HB2 GLN A 11 9.758 2.406 -2.757 1.00 0.00 H new ATOM 0 HB3 GLN A 11 10.519 2.638 -1.196 1.00 0.00 H new ATOM 0 HG2 GLN A 11 12.343 1.001 -2.066 1.00 0.00 H new ATOM 0 HG3 GLN A 11 11.654 1.288 -3.651 1.00 0.00 H new ATOM 0 HE21 GLN A 11 11.742 3.713 -1.077 1.00 0.00 H new ATOM 0 HE22 GLN A 11 12.939 4.765 -1.841 1.00 0.00 H new ATOM 160 N LEU A 12 7.429 0.815 -2.112 1.00 0.00 N ATOM 161 CA LEU A 12 5.993 0.997 -1.895 1.00 0.00 C ATOM 162 C LEU A 12 5.462 0.001 -0.865 1.00 0.00 C ATOM 163 O LEU A 12 4.723 0.367 0.048 1.00 0.00 O ATOM 164 CB LEU A 12 5.229 0.819 -3.212 1.00 0.00 C ATOM 165 CG LEU A 12 5.508 1.873 -4.291 1.00 0.00 C ATOM 166 CD1 LEU A 12 4.867 1.474 -5.609 1.00 0.00 C ATOM 167 CD2 LEU A 12 5.007 3.238 -3.858 1.00 0.00 C ATOM 0 H LEU A 12 7.679 0.616 -3.081 1.00 0.00 H new ATOM 0 HA LEU A 12 5.840 2.008 -1.517 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.468 -0.163 -3.619 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.161 0.822 -2.994 1.00 0.00 H new ATOM 0 HG LEU A 12 6.587 1.931 -4.431 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.077 2.235 -6.361 1.00 0.00 H new ATOM 0 HD12 LEU A 12 5.275 0.518 -5.937 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.789 1.383 -5.476 1.00 0.00 H new ATOM 0 HD21 LEU A 12 5.217 3.968 -4.640 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.932 3.192 -3.683 1.00 0.00 H new ATOM 0 HD23 LEU A 12 5.512 3.536 -2.939 1.00 0.00 H new ATOM 179 N LEU A 13 5.870 -1.256 -1.014 1.00 0.00 N ATOM 180 CA LEU A 13 5.351 -2.352 -0.198 1.00 0.00 C ATOM 181 C LEU A 13 5.628 -2.154 1.288 1.00 0.00 C ATOM 182 O LEU A 13 4.714 -2.235 2.104 1.00 0.00 O ATOM 183 CB LEU A 13 5.949 -3.680 -0.658 1.00 0.00 C ATOM 184 CG LEU A 13 5.706 -4.024 -2.126 1.00 0.00 C ATOM 185 CD1 LEU A 13 6.338 -5.357 -2.472 1.00 0.00 C ATOM 186 CD2 LEU A 13 4.220 -4.030 -2.444 1.00 0.00 C ATOM 0 H LEU A 13 6.567 -1.544 -1.701 1.00 0.00 H new ATOM 0 HA LEU A 13 4.269 -2.364 -0.332 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.024 -3.659 -0.479 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.539 -4.479 -0.041 1.00 0.00 H new ATOM 0 HG LEU A 13 6.176 -3.254 -2.738 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.154 -5.585 -3.522 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.412 -5.308 -2.294 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.903 -6.139 -1.849 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.074 -4.278 -3.495 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.718 -4.772 -1.823 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.801 -3.044 -2.242 1.00 0.00 H new ATOM 198 N ASP A 14 6.882 -1.898 1.643 1.00 0.00 N ATOM 199 CA ASP A 14 7.248 -1.752 3.051 1.00 0.00 C ATOM 200 C ASP A 14 6.676 -0.468 3.638 1.00 0.00 C ATOM 201 O ASP A 14 6.479 -0.365 4.847 1.00 0.00 O ATOM 202 CB ASP A 14 8.766 -1.808 3.249 1.00 0.00 C ATOM 203 CG ASP A 14 9.299 -3.229 3.226 1.00 0.00 C ATOM 204 OD1 ASP A 14 9.059 -3.980 4.200 1.00 0.00 O1- ATOM 205 OD2 ASP A 14 9.963 -3.604 2.237 1.00 0.00 O ATOM 0 H ASP A 14 7.655 -1.788 0.987 1.00 0.00 H new ATOM 0 HA ASP A 14 6.812 -2.595 3.586 1.00 0.00 H new ATOM 0 HB2 ASP A 14 9.254 -1.227 2.466 1.00 0.00 H new ATOM 0 HB3 ASP A 14 9.023 -1.341 4.200 1.00 0.00 H new ATOM 210 N PHE A 15 6.393 0.498 2.776 1.00 0.00 N ATOM 211 CA PHE A 15 5.724 1.722 3.195 1.00 0.00 C ATOM 212 C PHE A 15 4.297 1.400 3.628 1.00 0.00 C ATOM 213 O PHE A 15 3.860 1.798 4.706 1.00 0.00 O ATOM 214 CB PHE A 15 5.723 2.731 2.048 1.00 0.00 C ATOM 215 CG PHE A 15 5.146 4.078 2.390 1.00 0.00 C ATOM 216 CD1 PHE A 15 3.780 4.305 2.312 1.00 0.00 C ATOM 217 CD2 PHE A 15 5.976 5.128 2.752 1.00 0.00 C ATOM 218 CE1 PHE A 15 3.253 5.549 2.589 1.00 0.00 C ATOM 219 CE2 PHE A 15 5.454 6.377 3.022 1.00 0.00 C ATOM 220 CZ PHE A 15 4.092 6.588 2.940 1.00 0.00 C ATOM 0 H PHE A 15 6.616 0.458 1.782 1.00 0.00 H new ATOM 0 HA PHE A 15 6.257 2.159 4.039 1.00 0.00 H new ATOM 0 HB2 PHE A 15 6.748 2.868 1.703 1.00 0.00 H new ATOM 0 HB3 PHE A 15 5.159 2.311 1.215 1.00 0.00 H new ATOM 0 HD1 PHE A 15 3.121 3.497 2.031 1.00 0.00 H new ATOM 0 HD2 PHE A 15 7.042 4.967 2.823 1.00 0.00 H new ATOM 0 HE1 PHE A 15 2.187 5.710 2.532 1.00 0.00 H new ATOM 0 HE2 PHE A 15 6.111 7.189 3.297 1.00 0.00 H new ATOM 0 HZ PHE A 15 3.683 7.565 3.150 1.00 0.00 H new ATOM 230 N ILE A 16 3.585 0.661 2.780 1.00 0.00 N ATOM 231 CA ILE A 16 2.241 0.188 3.097 1.00 0.00 C ATOM 232 C ILE A 16 2.289 -0.722 4.322 1.00 0.00 C ATOM 233 O ILE A 16 1.377 -0.740 5.154 1.00 0.00 O ATOM 234 CB ILE A 16 1.642 -0.598 1.909 1.00 0.00 C ATOM 235 CG1 ILE A 16 1.642 0.261 0.643 1.00 0.00 C ATOM 236 CG2 ILE A 16 0.230 -1.064 2.232 1.00 0.00 C ATOM 237 CD1 ILE A 16 1.289 -0.512 -0.609 1.00 0.00 C ATOM 0 H ILE A 16 3.921 0.375 1.860 1.00 0.00 H new ATOM 0 HA ILE A 16 1.614 1.056 3.301 1.00 0.00 H new ATOM 0 HB ILE A 16 2.263 -1.476 1.732 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.932 1.079 0.768 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.627 0.710 0.518 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.174 -1.615 1.383 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.252 -1.712 3.108 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.401 -0.199 2.436 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.308 0.159 -1.468 1.00 0.00 H new ATOM 0 HD12 ILE A 16 2.013 -1.313 -0.758 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.292 -0.939 -0.504 1.00 0.00 H new ATOM 249 N ARG A 17 3.378 -1.462 4.420 1.00 0.00 N ATOM 250 CA ARG A 17 3.605 -2.384 5.516 1.00 0.00 C ATOM 251 C ARG A 17 3.702 -1.632 6.844 1.00 0.00 C ATOM 252 O ARG A 17 3.059 -2.004 7.826 1.00 0.00 O ATOM 253 CB ARG A 17 4.881 -3.171 5.233 1.00 0.00 C ATOM 254 CG ARG A 17 5.150 -4.328 6.173 1.00 0.00 C ATOM 255 CD ARG A 17 6.298 -5.171 5.647 1.00 0.00 C ATOM 256 NE ARG A 17 6.662 -6.255 6.553 1.00 0.00 N ATOM 257 CZ ARG A 17 7.877 -6.799 6.603 1.00 0.00 C ATOM 258 NH1 ARG A 17 8.858 -6.325 5.836 1.00 0.00 N1+ ATOM 259 NH2 ARG A 17 8.119 -7.816 7.418 1.00 0.00 N ATOM 0 H ARG A 17 4.135 -1.440 3.736 1.00 0.00 H new ATOM 0 HA ARG A 17 2.766 -3.075 5.598 1.00 0.00 H new ATOM 0 HB2 ARG A 17 4.833 -3.556 4.214 1.00 0.00 H new ATOM 0 HB3 ARG A 17 5.728 -2.486 5.275 1.00 0.00 H new ATOM 0 HG2 ARG A 17 5.391 -3.951 7.167 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.254 -4.941 6.273 1.00 0.00 H new ATOM 0 HD2 ARG A 17 6.022 -5.589 4.679 1.00 0.00 H new ATOM 0 HD3 ARG A 17 7.166 -4.533 5.483 1.00 0.00 H new ATOM 0 HE ARG A 17 5.946 -6.617 7.183 1.00 0.00 H new ATOM 0 HH11 ARG A 17 8.680 -5.542 5.207 1.00 0.00 H new ATOM 0 HH12 ARG A 17 9.787 -6.745 5.878 1.00 0.00 H new ATOM 0 HH21 ARG A 17 7.374 -8.184 8.009 1.00 0.00 H new ATOM 0 HH22 ARG A 17 9.050 -8.230 7.454 1.00 0.00 H new ATOM 273 N GLU A 18 4.495 -0.566 6.863 1.00 0.00 N ATOM 274 CA GLU A 18 4.610 0.278 8.047 1.00 0.00 C ATOM 275 C GLU A 18 3.312 1.034 8.293 1.00 0.00 C ATOM 276 O GLU A 18 2.898 1.223 9.438 1.00 0.00 O ATOM 277 CB GLU A 18 5.771 1.261 7.900 1.00 0.00 C ATOM 278 CG GLU A 18 7.128 0.590 7.960 1.00 0.00 C ATOM 279 CD GLU A 18 8.275 1.581 7.986 1.00 0.00 C ATOM 280 OE1 GLU A 18 8.186 2.582 8.732 1.00 0.00 O ATOM 281 OE2 GLU A 18 9.284 1.352 7.281 1.00 0.00 O1- ATOM 0 H GLU A 18 5.067 -0.266 6.073 1.00 0.00 H new ATOM 0 HA GLU A 18 4.807 -0.366 8.904 1.00 0.00 H new ATOM 0 HB2 GLU A 18 5.675 1.789 6.951 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.707 2.010 8.689 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.178 -0.039 8.849 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.241 -0.067 7.098 1.00 0.00 H new ATOM 288 N LEU A 19 2.680 1.453 7.207 1.00 0.00 N ATOM 289 CA LEU A 19 1.409 2.136 7.250 1.00 0.00 C ATOM 290 C LEU A 19 0.392 1.353 8.078 1.00 0.00 C ATOM 291 O LEU A 19 -0.163 1.864 9.053 1.00 0.00 O ATOM 292 CB LEU A 19 0.920 2.280 5.818 1.00 0.00 C ATOM 293 CG LEU A 19 0.327 3.623 5.444 1.00 0.00 C ATOM 294 CD1 LEU A 19 1.318 4.744 5.703 1.00 0.00 C ATOM 295 CD2 LEU A 19 -0.075 3.597 3.985 1.00 0.00 C ATOM 0 H LEU A 19 3.045 1.324 6.263 1.00 0.00 H new ATOM 0 HA LEU A 19 1.526 3.112 7.721 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.756 2.077 5.149 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.170 1.511 5.634 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.552 3.810 6.061 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.869 5.698 5.427 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.581 4.760 6.761 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.216 4.580 5.108 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.503 4.561 3.708 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.802 3.399 3.369 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.815 2.812 3.825 1.00 0.00 H new ATOM 307 N GLY A 20 0.165 0.104 7.693 1.00 0.00 N ATOM 308 CA GLY A 20 -0.794 -0.726 8.393 1.00 0.00 C ATOM 309 C GLY A 20 -0.298 -1.198 9.744 1.00 0.00 C ATOM 310 O GLY A 20 -1.089 -1.644 10.572 1.00 0.00 O ATOM 0 H GLY A 20 0.630 -0.350 6.906 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.720 -0.166 8.528 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.033 -1.593 7.777 1.00 0.00 H new ATOM 314 N ASP A 21 1.005 -1.090 9.981 1.00 0.00 N ATOM 315 CA ASP A 21 1.585 -1.570 11.231 1.00 0.00 C ATOM 316 C ASP A 21 1.221 -0.649 12.391 1.00 0.00 C ATOM 317 O ASP A 21 0.945 -1.113 13.497 1.00 0.00 O ATOM 318 CB ASP A 21 3.104 -1.685 11.106 1.00 0.00 C ATOM 319 CG ASP A 21 3.726 -2.419 12.274 1.00 0.00 C ATOM 320 OD1 ASP A 21 3.518 -3.648 12.385 1.00 0.00 O1- ATOM 321 OD2 ASP A 21 4.439 -1.783 13.075 1.00 0.00 O ATOM 0 H ASP A 21 1.675 -0.678 9.331 1.00 0.00 H new ATOM 0 HA ASP A 21 1.173 -2.558 11.436 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.351 -2.205 10.181 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.536 -0.687 11.036 1.00 0.00 H new ATOM 326 N VAL A 22 1.195 0.652 12.126 1.00 0.00 N ATOM 327 CA VAL A 22 0.885 1.637 13.159 1.00 0.00 C ATOM 328 C VAL A 22 -0.571 2.073 13.083 1.00 0.00 C ATOM 329 O VAL A 22 -1.110 2.658 14.022 1.00 0.00 O ATOM 330 CB VAL A 22 1.785 2.886 13.053 1.00 0.00 C ATOM 331 CG1 VAL A 22 3.212 2.554 13.447 1.00 0.00 C ATOM 332 CG2 VAL A 22 1.744 3.460 11.645 1.00 0.00 C ATOM 0 H VAL A 22 1.384 1.050 11.206 1.00 0.00 H new ATOM 0 HA VAL A 22 1.072 1.149 14.115 1.00 0.00 H new ATOM 0 HB VAL A 22 1.403 3.638 13.743 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.830 3.448 13.365 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.231 2.193 14.475 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.602 1.782 12.784 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.385 4.340 11.592 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.097 2.711 10.936 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.721 3.741 11.396 1.00 0.00 H new ATOM 342 N GLY A 23 -1.203 1.793 11.955 1.00 0.00 N ATOM 343 CA GLY A 23 -2.593 2.144 11.791 1.00 0.00 C ATOM 344 C GLY A 23 -2.787 3.414 10.991 1.00 0.00 C ATOM 345 O GLY A 23 -3.666 4.217 11.283 1.00 0.00 O ATOM 0 H GLY A 23 -0.777 1.330 11.152 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.114 1.325 11.295 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.051 2.265 12.773 1.00 0.00 H new ATOM 349 N LEU A 24 -1.951 3.605 9.987 1.00 0.00 N ATOM 350 CA LEU A 24 -2.111 4.715 9.060 1.00 0.00 C ATOM 351 C LEU A 24 -2.790 4.223 7.795 1.00 0.00 C ATOM 352 O LEU A 24 -3.098 4.994 6.889 1.00 0.00 O ATOM 353 CB LEU A 24 -0.754 5.327 8.730 1.00 0.00 C ATOM 354 CG LEU A 24 -0.088 6.057 9.891 1.00 0.00 C ATOM 355 CD1 LEU A 24 1.323 6.478 9.519 1.00 0.00 C ATOM 356 CD2 LEU A 24 -0.922 7.261 10.297 1.00 0.00 C ATOM 0 H LEU A 24 -1.150 3.004 9.791 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.730 5.483 9.523 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.088 4.536 8.385 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.877 6.025 7.902 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.023 5.378 10.741 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.782 6.997 10.360 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.913 5.595 9.272 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.289 7.144 8.657 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.438 7.776 11.127 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.013 7.942 9.451 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.914 6.930 10.605 1.00 0.00 H new ATOM 368 N LEU A 25 -3.002 2.921 7.755 1.00 0.00 N ATOM 369 CA LEU A 25 -3.667 2.275 6.642 1.00 0.00 C ATOM 370 C LEU A 25 -4.982 1.668 7.113 1.00 0.00 C ATOM 371 O LEU A 25 -5.743 1.106 6.326 1.00 0.00 O ATOM 372 CB LEU A 25 -2.758 1.189 6.077 1.00 0.00 C ATOM 373 CG LEU A 25 -3.292 0.453 4.860 1.00 0.00 C ATOM 374 CD1 LEU A 25 -3.321 1.369 3.651 1.00 0.00 C ATOM 375 CD2 LEU A 25 -2.451 -0.781 4.592 1.00 0.00 C ATOM 0 H LEU A 25 -2.717 2.281 8.496 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.878 3.008 5.863 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.801 1.641 5.815 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.561 0.460 6.863 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.316 0.136 5.059 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.706 0.823 2.790 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.966 2.223 3.857 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.312 1.720 3.436 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.840 -1.304 3.718 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.418 -0.485 4.408 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.490 -1.443 5.457 1.00 0.00 H new ATOM 387 N GLU A 26 -5.237 1.793 8.408 1.00 0.00 N ATOM 388 CA GLU A 26 -6.425 1.215 9.013 1.00 0.00 C ATOM 389 C GLU A 26 -7.687 1.787 8.383 1.00 0.00 C ATOM 390 O GLU A 26 -7.779 2.985 8.099 1.00 0.00 O ATOM 391 CB GLU A 26 -6.438 1.436 10.529 1.00 0.00 C ATOM 392 CG GLU A 26 -6.484 2.895 10.941 1.00 0.00 C ATOM 393 CD GLU A 26 -6.597 3.073 12.440 1.00 0.00 C ATOM 394 OE1 GLU A 26 -5.569 2.963 13.140 1.00 0.00 O ATOM 395 OE2 GLU A 26 -7.721 3.323 12.929 1.00 0.00 O1- ATOM 0 H GLU A 26 -4.633 2.292 9.061 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.402 0.141 8.827 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.301 0.922 10.953 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.549 0.975 10.960 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.584 3.398 10.586 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.332 3.379 10.456 1.00 0.00 H new ATOM 402 N TYR A 27 -8.647 0.917 8.156 1.00 0.00 N ATOM 403 CA TYR A 27 -9.886 1.296 7.506 1.00 0.00 C ATOM 404 C TYR A 27 -11.041 0.500 8.089 1.00 0.00 C ATOM 405 O TYR A 27 -10.834 -0.411 8.897 1.00 0.00 O ATOM 406 CB TYR A 27 -9.789 1.045 5.997 1.00 0.00 C ATOM 407 CG TYR A 27 -9.640 -0.416 5.633 1.00 0.00 C ATOM 408 CD1 TYR A 27 -8.408 -1.049 5.724 1.00 0.00 C ATOM 409 CD2 TYR A 27 -10.732 -1.165 5.210 1.00 0.00 C ATOM 410 CE1 TYR A 27 -8.268 -2.383 5.405 1.00 0.00 C ATOM 411 CE2 TYR A 27 -10.599 -2.501 4.891 1.00 0.00 C ATOM 412 CZ TYR A 27 -9.364 -3.106 4.991 1.00 0.00 C ATOM 413 OH TYR A 27 -9.225 -4.437 4.676 1.00 0.00 O ATOM 0 H TYR A 27 -8.593 -0.068 8.415 1.00 0.00 H new ATOM 0 HA TYR A 27 -10.062 2.358 7.676 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -10.682 1.442 5.513 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -8.938 1.598 5.599 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -7.545 -0.487 6.050 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -11.700 -0.694 5.130 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -7.302 -2.859 5.480 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -11.457 -3.070 4.565 1.00 0.00 H new ATOM 0 HH TYR A 27 -10.109 -4.858 4.636 1.00 0.00 H new ATOM 423 N GLU A 28 -12.246 0.843 7.677 1.00 0.00 N ATOM 424 CA GLU A 28 -13.431 0.117 8.080 1.00 0.00 C ATOM 425 C GLU A 28 -14.490 0.272 7.004 1.00 0.00 C ATOM 426 O GLU A 28 -14.783 1.385 6.575 1.00 0.00 O ATOM 427 CB GLU A 28 -13.949 0.632 9.422 1.00 0.00 C ATOM 428 CG GLU A 28 -15.091 -0.191 9.988 1.00 0.00 C ATOM 429 CD GLU A 28 -15.550 0.310 11.336 1.00 0.00 C ATOM 430 OE1 GLU A 28 -14.966 -0.110 12.361 1.00 0.00 O ATOM 431 OE2 GLU A 28 -16.493 1.123 11.382 1.00 0.00 O1- ATOM 0 H GLU A 28 -12.429 1.631 7.055 1.00 0.00 H new ATOM 0 HA GLU A 28 -13.187 -0.938 8.202 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -13.128 0.641 10.139 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -14.280 1.664 9.303 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -15.929 -0.171 9.292 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -14.776 -1.231 10.078 1.00 0.00 H new ATOM 438 N LEU A 29 -15.042 -0.837 6.553 1.00 0.00 N ATOM 439 CA LEU A 29 -15.983 -0.802 5.451 1.00 0.00 C ATOM 440 C LEU A 29 -17.393 -1.089 5.920 1.00 0.00 C ATOM 441 O LEU A 29 -17.646 -2.083 6.604 1.00 0.00 O ATOM 442 CB LEU A 29 -15.594 -1.812 4.376 1.00 0.00 C ATOM 443 CG LEU A 29 -14.213 -1.617 3.763 1.00 0.00 C ATOM 444 CD1 LEU A 29 -13.919 -2.744 2.797 1.00 0.00 C ATOM 445 CD2 LEU A 29 -14.124 -0.275 3.055 1.00 0.00 C ATOM 0 H LEU A 29 -14.857 -1.767 6.929 1.00 0.00 H new ATOM 0 HA LEU A 29 -15.951 0.204 5.031 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -15.643 -2.812 4.807 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -16.336 -1.771 3.578 1.00 0.00 H new ATOM 0 HG LEU A 29 -13.470 -1.629 4.561 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -12.930 -2.601 2.361 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -13.947 -3.695 3.328 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -14.668 -2.749 2.005 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -13.130 -0.156 2.624 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -14.870 -0.232 2.262 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -14.308 0.527 3.770 1.00 0.00 H new ATOM 457 N SER A 30 -18.301 -0.211 5.552 1.00 0.00 N ATOM 458 CA SER A 30 -19.715 -0.431 5.784 1.00 0.00 C ATOM 459 C SER A 30 -20.268 -1.298 4.658 1.00 0.00 C ATOM 460 O SER A 30 -19.558 -1.549 3.686 1.00 0.00 O ATOM 461 CB SER A 30 -20.444 0.912 5.845 1.00 0.00 C ATOM 462 OG SER A 30 -19.733 1.827 6.662 1.00 0.00 O ATOM 0 H SER A 30 -18.084 0.670 5.087 1.00 0.00 H new ATOM 0 HA SER A 30 -19.866 -0.942 6.735 1.00 0.00 H new ATOM 0 HB2 SER A 30 -20.551 1.320 4.840 1.00 0.00 H new ATOM 0 HB3 SER A 30 -21.450 0.769 6.240 1.00 0.00 H new ATOM 0 HG SER A 30 -18.989 2.211 6.152 1.00 0.00 H new ATOM 468 N GLN A 31 -21.504 -1.759 4.772 1.00 0.00 N ATOM 469 CA GLN A 31 -22.084 -2.618 3.742 1.00 0.00 C ATOM 470 C GLN A 31 -22.036 -1.942 2.377 1.00 0.00 C ATOM 471 O GLN A 31 -21.732 -2.580 1.371 1.00 0.00 O ATOM 472 CB GLN A 31 -23.520 -3.003 4.095 1.00 0.00 C ATOM 473 CG GLN A 31 -23.617 -3.983 5.253 1.00 0.00 C ATOM 474 CD GLN A 31 -22.873 -5.278 4.980 1.00 0.00 C ATOM 475 OE1 GLN A 31 -23.429 -6.221 4.417 1.00 0.00 O ATOM 476 NE2 GLN A 31 -21.615 -5.341 5.385 1.00 0.00 N ATOM 0 H GLN A 31 -22.122 -1.557 5.558 1.00 0.00 H new ATOM 0 HA GLN A 31 -21.487 -3.529 3.695 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -24.079 -2.101 4.345 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -23.997 -3.441 3.218 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -23.214 -3.519 6.153 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -24.666 -4.205 5.451 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -21.188 -4.539 5.848 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -21.073 -6.192 5.234 1.00 0.00 H new ATOM 485 N GLN A 32 -22.299 -0.644 2.357 1.00 0.00 N ATOM 486 CA GLN A 32 -22.267 0.126 1.121 1.00 0.00 C ATOM 487 C GLN A 32 -20.838 0.247 0.599 1.00 0.00 C ATOM 488 O GLN A 32 -20.588 0.116 -0.599 1.00 0.00 O ATOM 489 CB GLN A 32 -22.864 1.513 1.351 1.00 0.00 C ATOM 490 CG GLN A 32 -23.011 2.338 0.082 1.00 0.00 C ATOM 491 CD GLN A 32 -23.931 1.697 -0.942 1.00 0.00 C ATOM 492 OE1 GLN A 32 -23.762 1.887 -2.147 1.00 0.00 O ATOM 493 NE2 GLN A 32 -24.914 0.941 -0.481 1.00 0.00 N ATOM 0 H GLN A 32 -22.538 -0.099 3.186 1.00 0.00 H new ATOM 0 HA GLN A 32 -22.863 -0.396 0.373 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -23.843 1.404 1.817 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -22.234 2.057 2.055 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -23.396 3.325 0.340 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -22.028 2.486 -0.364 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -25.025 0.805 0.524 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -25.561 0.494 -1.130 1.00 0.00 H new ATOM 502 N GLU A 33 -19.902 0.481 1.511 1.00 0.00 N ATOM 503 CA GLU A 33 -18.492 0.594 1.152 1.00 0.00 C ATOM 504 C GLU A 33 -17.961 -0.746 0.651 1.00 0.00 C ATOM 505 O GLU A 33 -17.030 -0.798 -0.148 1.00 0.00 O ATOM 506 CB GLU A 33 -17.674 1.071 2.354 1.00 0.00 C ATOM 507 CG GLU A 33 -18.085 2.444 2.861 1.00 0.00 C ATOM 508 CD GLU A 33 -17.280 2.886 4.065 1.00 0.00 C ATOM 509 OE1 GLU A 33 -17.661 2.526 5.198 1.00 0.00 O ATOM 510 OE2 GLU A 33 -16.271 3.601 3.885 1.00 0.00 O1- ATOM 0 H GLU A 33 -20.093 0.596 2.506 1.00 0.00 H new ATOM 0 HA GLU A 33 -18.397 1.327 0.351 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -17.777 0.348 3.163 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -16.619 1.095 2.079 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -17.964 3.174 2.060 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -19.143 2.429 3.122 1.00 0.00 H new ATOM 517 N LYS A 34 -18.566 -1.823 1.127 1.00 0.00 N ATOM 518 CA LYS A 34 -18.217 -3.162 0.675 1.00 0.00 C ATOM 519 C LYS A 34 -18.904 -3.467 -0.652 1.00 0.00 C ATOM 520 O LYS A 34 -18.353 -4.158 -1.509 1.00 0.00 O ATOM 521 CB LYS A 34 -18.623 -4.203 1.724 1.00 0.00 C ATOM 522 CG LYS A 34 -17.791 -4.142 2.993 1.00 0.00 C ATOM 523 CD LYS A 34 -18.236 -5.185 4.004 1.00 0.00 C ATOM 524 CE LYS A 34 -17.367 -5.156 5.251 1.00 0.00 C ATOM 525 NZ LYS A 34 -17.808 -6.151 6.265 1.00 0.00 N1+ ATOM 0 H LYS A 34 -19.305 -1.796 1.830 1.00 0.00 H new ATOM 0 HA LYS A 34 -17.137 -3.208 0.534 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -19.673 -4.059 1.980 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -18.535 -5.199 1.289 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -16.740 -4.297 2.748 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -17.872 -3.149 3.434 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -19.276 -5.007 4.279 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -18.191 -6.175 3.551 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -16.331 -5.355 4.975 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -17.394 -4.158 5.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -17.188 -6.096 7.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -18.787 -5.947 6.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -17.758 -7.107 5.858 1.00 0.00 H new ATOM 539 N ASP A 35 -20.097 -2.909 -0.819 1.00 0.00 N ATOM 540 CA ASP A 35 -20.931 -3.167 -1.989 1.00 0.00 C ATOM 541 C ASP A 35 -20.271 -2.656 -3.262 1.00 0.00 C ATOM 542 O ASP A 35 -20.437 -3.232 -4.334 1.00 0.00 O ATOM 543 CB ASP A 35 -22.298 -2.502 -1.806 1.00 0.00 C ATOM 544 CG ASP A 35 -23.286 -2.878 -2.889 1.00 0.00 C ATOM 545 OD1 ASP A 35 -23.919 -3.946 -2.771 1.00 0.00 O1- ATOM 546 OD2 ASP A 35 -23.441 -2.105 -3.857 1.00 0.00 O ATOM 0 H ASP A 35 -20.515 -2.265 -0.148 1.00 0.00 H new ATOM 0 HA ASP A 35 -21.059 -4.245 -2.086 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -22.706 -2.783 -0.835 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -22.171 -1.419 -1.797 1.00 0.00 H new ATOM 551 N VAL A 36 -19.506 -1.585 -3.140 1.00 0.00 N ATOM 552 CA VAL A 36 -18.848 -0.993 -4.294 1.00 0.00 C ATOM 553 C VAL A 36 -17.556 -1.733 -4.633 1.00 0.00 C ATOM 554 O VAL A 36 -17.062 -1.657 -5.759 1.00 0.00 O ATOM 555 CB VAL A 36 -18.537 0.501 -4.059 1.00 0.00 C ATOM 556 CG1 VAL A 36 -19.815 1.265 -3.754 1.00 0.00 C ATOM 557 CG2 VAL A 36 -17.528 0.677 -2.935 1.00 0.00 C ATOM 0 H VAL A 36 -19.325 -1.108 -2.257 1.00 0.00 H new ATOM 0 HA VAL A 36 -19.538 -1.081 -5.133 1.00 0.00 H new ATOM 0 HB VAL A 36 -18.098 0.905 -4.971 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -19.580 2.317 -3.591 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -20.503 1.173 -4.594 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -20.280 0.854 -2.858 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -17.326 1.738 -2.790 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -17.931 0.255 -2.015 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -16.602 0.164 -3.194 1.00 0.00 H new ATOM 567 N LEU A 37 -17.012 -2.449 -3.657 1.00 0.00 N ATOM 568 CA LEU A 37 -15.749 -3.154 -3.839 1.00 0.00 C ATOM 569 C LEU A 37 -15.982 -4.596 -4.249 1.00 0.00 C ATOM 570 O LEU A 37 -15.483 -5.052 -5.276 1.00 0.00 O ATOM 571 CB LEU A 37 -14.935 -3.113 -2.547 1.00 0.00 C ATOM 572 CG LEU A 37 -14.688 -1.714 -1.998 1.00 0.00 C ATOM 573 CD1 LEU A 37 -13.866 -1.774 -0.723 1.00 0.00 C ATOM 574 CD2 LEU A 37 -13.999 -0.855 -3.041 1.00 0.00 C ATOM 0 H LEU A 37 -17.426 -2.557 -2.731 1.00 0.00 H new ATOM 0 HA LEU A 37 -15.196 -2.654 -4.634 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -15.452 -3.701 -1.788 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -13.973 -3.595 -2.723 1.00 0.00 H new ATOM 0 HG LEU A 37 -15.650 -1.262 -1.758 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -13.702 -0.764 -0.348 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -14.400 -2.357 0.027 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -12.905 -2.245 -0.931 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -13.828 0.142 -2.636 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -13.044 -1.306 -3.310 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -14.629 -0.784 -3.928 1.00 0.00 H new ATOM 586 N PHE A 38 -16.757 -5.304 -3.446 1.00 0.00 N ATOM 587 CA PHE A 38 -17.015 -6.714 -3.693 1.00 0.00 C ATOM 588 C PHE A 38 -18.137 -6.882 -4.704 1.00 0.00 C ATOM 589 O PHE A 38 -18.211 -7.882 -5.418 1.00 0.00 O ATOM 590 CB PHE A 38 -17.375 -7.428 -2.391 1.00 0.00 C ATOM 591 CG PHE A 38 -16.296 -7.362 -1.348 1.00 0.00 C ATOM 592 CD1 PHE A 38 -15.210 -8.221 -1.398 1.00 0.00 C ATOM 593 CD2 PHE A 38 -16.369 -6.441 -0.317 1.00 0.00 C ATOM 594 CE1 PHE A 38 -14.219 -8.162 -0.438 1.00 0.00 C ATOM 595 CE2 PHE A 38 -15.381 -6.377 0.644 1.00 0.00 C ATOM 596 CZ PHE A 38 -14.306 -7.239 0.585 1.00 0.00 C ATOM 0 H PHE A 38 -17.219 -4.927 -2.618 1.00 0.00 H new ATOM 0 HA PHE A 38 -16.107 -7.160 -4.099 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -18.287 -6.989 -1.986 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -17.594 -8.473 -2.609 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -15.138 -8.945 -2.196 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -17.209 -5.765 -0.264 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -13.377 -8.837 -0.487 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -15.449 -5.652 1.442 1.00 0.00 H new ATOM 0 HZ PHE A 38 -13.533 -7.192 1.338 1.00 0.00 H new ATOM 606 N GLY A 39 -19.008 -5.879 -4.750 1.00 0.00 N ATOM 607 CA GLY A 39 -20.116 -5.875 -5.688 1.00 0.00 C ATOM 608 C GLY A 39 -21.119 -6.984 -5.443 1.00 0.00 C ATOM 609 O GLY A 39 -21.931 -7.290 -6.314 1.00 0.00 O ATOM 0 H GLY A 39 -18.964 -5.059 -4.146 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -20.627 -4.914 -5.630 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -19.724 -5.967 -6.701 1.00 0.00 H new ATOM 613 N SER A 40 -21.076 -7.573 -4.258 1.00 0.00 N ATOM 614 CA SER A 40 -21.949 -8.683 -3.928 1.00 0.00 C ATOM 615 C SER A 40 -22.553 -8.465 -2.544 1.00 0.00 C ATOM 616 O SER A 40 -21.942 -8.898 -1.545 1.00 0.00 O ATOM 617 CB SER A 40 -21.159 -9.997 -3.987 1.00 0.00 C ATOM 618 OG SER A 40 -22.006 -11.133 -3.878 1.00 0.00 O ATOM 619 OXT SER A 40 -23.622 -7.826 -2.457 1.00 0.00 O ATOM 0 H SER A 40 -20.442 -7.298 -3.508 1.00 0.00 H new ATOM 0 HA SER A 40 -22.762 -8.742 -4.651 1.00 0.00 H new ATOM 0 HB2 SER A 40 -20.606 -10.046 -4.925 1.00 0.00 H new ATOM 0 HB3 SER A 40 -20.424 -10.014 -3.182 1.00 0.00 H new ATOM 0 HG SER A 40 -21.466 -11.949 -3.921 1.00 0.00 H new TER 625 SER A 40 ATOM 626 N MET B 41 -4.092 14.654 15.227 1.00 0.00 N ATOM 627 CA MET B 41 -2.800 14.029 14.866 1.00 0.00 C ATOM 628 C MET B 41 -2.972 12.525 14.716 1.00 0.00 C ATOM 629 O MET B 41 -3.622 11.882 15.542 1.00 0.00 O ATOM 630 CB MET B 41 -1.733 14.318 15.931 1.00 0.00 C ATOM 631 CG MET B 41 -1.383 15.792 16.086 1.00 0.00 C ATOM 632 SD MET B 41 -2.744 16.775 16.748 1.00 0.00 S ATOM 633 CE MET B 41 -1.967 18.382 16.881 1.00 0.00 C ATOM 0 HA MET B 41 -2.471 14.456 13.918 1.00 0.00 H new ATOM 0 HB2 MET B 41 -2.082 13.937 16.891 1.00 0.00 H new ATOM 0 HB3 MET B 41 -0.827 13.766 15.680 1.00 0.00 H new ATOM 0 HG2 MET B 41 -0.520 15.887 16.744 1.00 0.00 H new ATOM 0 HG3 MET B 41 -1.090 16.194 15.116 1.00 0.00 H new ATOM 0 HE1 MET B 41 -2.684 19.101 17.277 1.00 0.00 H new ATOM 0 HE2 MET B 41 -1.110 18.317 17.551 1.00 0.00 H new ATOM 0 HE3 MET B 41 -1.633 18.708 15.896 1.00 0.00 H new ATOM 645 N ASN B 42 -2.406 11.971 13.655 1.00 0.00 N ATOM 646 CA ASN B 42 -2.471 10.537 13.418 1.00 0.00 C ATOM 647 C ASN B 42 -1.172 9.873 13.847 1.00 0.00 C ATOM 648 O ASN B 42 -0.398 10.443 14.617 1.00 0.00 O ATOM 649 CB ASN B 42 -2.752 10.232 11.946 1.00 0.00 C ATOM 650 CG ASN B 42 -4.036 10.868 11.457 1.00 0.00 C ATOM 651 OD1 ASN B 42 -4.037 11.987 10.941 1.00 0.00 O ATOM 652 ND2 ASN B 42 -5.142 10.164 11.625 1.00 0.00 N ATOM 0 H ASN B 42 -1.896 12.494 12.943 1.00 0.00 H new ATOM 0 HA ASN B 42 -3.292 10.136 14.012 1.00 0.00 H new ATOM 0 HB2 ASN B 42 -1.920 10.588 11.339 1.00 0.00 H new ATOM 0 HB3 ASN B 42 -2.809 9.152 11.806 1.00 0.00 H new ATOM 0 HD21 ASN B 42 -6.039 10.544 11.323 1.00 0.00 H new ATOM 0 HD22 ASN B 42 -5.098 9.241 12.057 1.00 0.00 H new ATOM 659 N LYS B 43 -0.938 8.675 13.346 1.00 0.00 N ATOM 660 CA LYS B 43 0.249 7.906 13.701 1.00 0.00 C ATOM 661 C LYS B 43 1.418 8.318 12.808 1.00 0.00 C ATOM 662 O LYS B 43 1.278 9.194 11.953 1.00 0.00 O ATOM 663 CB LYS B 43 -0.004 6.393 13.557 1.00 0.00 C ATOM 664 CG LYS B 43 -1.225 5.884 14.313 1.00 0.00 C ATOM 665 CD LYS B 43 -2.515 6.158 13.552 1.00 0.00 C ATOM 666 CE LYS B 43 -3.739 5.911 14.406 1.00 0.00 C ATOM 667 NZ LYS B 43 -3.950 4.466 14.694 1.00 0.00 N1+ ATOM 0 H LYS B 43 -1.558 8.206 12.686 1.00 0.00 H new ATOM 0 HA LYS B 43 0.490 8.115 14.743 1.00 0.00 H new ATOM 0 HB2 LYS B 43 -0.122 6.156 12.500 1.00 0.00 H new ATOM 0 HB3 LYS B 43 0.876 5.855 13.909 1.00 0.00 H new ATOM 0 HG2 LYS B 43 -1.125 4.812 14.486 1.00 0.00 H new ATOM 0 HG3 LYS B 43 -1.272 6.361 15.292 1.00 0.00 H new ATOM 0 HD2 LYS B 43 -2.518 7.191 13.204 1.00 0.00 H new ATOM 0 HD3 LYS B 43 -2.556 5.523 12.667 1.00 0.00 H new ATOM 0 HE2 LYS B 43 -3.639 6.455 15.345 1.00 0.00 H new ATOM 0 HE3 LYS B 43 -4.618 6.310 13.900 1.00 0.00 H new ATOM 0 HZ1 LYS B 43 -4.261 4.350 15.680 1.00 0.00 H new ATOM 0 HZ2 LYS B 43 -4.678 4.087 14.055 1.00 0.00 H new ATOM 0 HZ3 LYS B 43 -3.059 3.949 14.549 1.00 0.00 H new ATOM 681 N THR B 44 2.561 7.687 13.006 1.00 0.00 N ATOM 682 CA THR B 44 3.730 7.950 12.188 1.00 0.00 C ATOM 683 C THR B 44 4.415 6.649 11.808 1.00 0.00 C ATOM 684 O THR B 44 4.170 5.612 12.425 1.00 0.00 O ATOM 685 CB THR B 44 4.724 8.857 12.923 1.00 0.00 C ATOM 686 OG1 THR B 44 4.669 8.615 14.337 1.00 0.00 O ATOM 687 CG2 THR B 44 4.437 10.314 12.628 1.00 0.00 C ATOM 0 H THR B 44 2.705 6.984 13.731 1.00 0.00 H new ATOM 0 HA THR B 44 3.395 8.459 11.284 1.00 0.00 H new ATOM 0 HB THR B 44 5.728 8.625 12.567 1.00 0.00 H new ATOM 0 HG1 THR B 44 5.310 9.199 14.794 1.00 0.00 H new ATOM 0 HG21 THR B 44 5.153 10.941 13.159 1.00 0.00 H new ATOM 0 HG22 THR B 44 4.524 10.492 11.556 1.00 0.00 H new ATOM 0 HG23 THR B 44 3.427 10.560 12.956 1.00 0.00 H new ATOM 695 N LEU B 45 5.271 6.703 10.799 1.00 0.00 N ATOM 696 CA LEU B 45 5.956 5.510 10.330 1.00 0.00 C ATOM 697 C LEU B 45 7.135 5.181 11.231 1.00 0.00 C ATOM 698 O LEU B 45 7.501 5.959 12.116 1.00 0.00 O ATOM 699 CB LEU B 45 6.423 5.682 8.885 1.00 0.00 C ATOM 700 CG LEU B 45 5.303 5.924 7.875 1.00 0.00 C ATOM 701 CD1 LEU B 45 5.849 5.933 6.462 1.00 0.00 C ATOM 702 CD2 LEU B 45 4.232 4.865 8.019 1.00 0.00 C ATOM 0 H LEU B 45 5.507 7.556 10.292 1.00 0.00 H new ATOM 0 HA LEU B 45 5.250 4.680 10.365 1.00 0.00 H new ATOM 0 HB2 LEU B 45 7.120 6.518 8.840 1.00 0.00 H new ATOM 0 HB3 LEU B 45 6.975 4.790 8.588 1.00 0.00 H new ATOM 0 HG LEU B 45 4.861 6.900 8.077 1.00 0.00 H new ATOM 0 HD11 LEU B 45 5.035 6.107 5.758 1.00 0.00 H new ATOM 0 HD12 LEU B 45 6.590 6.727 6.363 1.00 0.00 H new ATOM 0 HD13 LEU B 45 6.316 4.972 6.246 1.00 0.00 H new ATOM 0 HD21 LEU B 45 3.439 5.048 7.294 1.00 0.00 H new ATOM 0 HD22 LEU B 45 4.667 3.881 7.841 1.00 0.00 H new ATOM 0 HD23 LEU B 45 3.818 4.901 9.026 1.00 0.00 H new ATOM 714 N LYS B 46 7.729 4.027 10.998 1.00 0.00 N ATOM 715 CA LYS B 46 8.778 3.518 11.863 1.00 0.00 C ATOM 716 C LYS B 46 10.143 3.852 11.290 1.00 0.00 C ATOM 717 O LYS B 46 11.121 3.994 12.026 1.00 0.00 O ATOM 718 CB LYS B 46 8.632 2.008 12.045 1.00 0.00 C ATOM 719 CG LYS B 46 7.346 1.602 12.749 1.00 0.00 C ATOM 720 CD LYS B 46 6.374 0.925 11.796 1.00 0.00 C ATOM 721 CE LYS B 46 6.896 -0.427 11.333 1.00 0.00 C ATOM 722 NZ LYS B 46 7.017 -1.390 12.459 1.00 0.00 N1+ ATOM 0 H LYS B 46 7.502 3.419 10.211 1.00 0.00 H new ATOM 0 HA LYS B 46 8.685 3.995 12.839 1.00 0.00 H new ATOM 0 HB2 LYS B 46 8.669 1.527 11.067 1.00 0.00 H new ATOM 0 HB3 LYS B 46 9.482 1.635 12.616 1.00 0.00 H new ATOM 0 HG2 LYS B 46 7.579 0.926 13.572 1.00 0.00 H new ATOM 0 HG3 LYS B 46 6.875 2.484 13.184 1.00 0.00 H new ATOM 0 HD2 LYS B 46 5.411 0.795 12.289 1.00 0.00 H new ATOM 0 HD3 LYS B 46 6.205 1.566 10.931 1.00 0.00 H new ATOM 0 HE2 LYS B 46 6.226 -0.835 10.577 1.00 0.00 H new ATOM 0 HE3 LYS B 46 7.869 -0.298 10.860 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 7.177 -2.346 12.082 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 7.818 -1.118 13.064 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 6.141 -1.381 13.019 1.00 0.00 H new ATOM 736 N THR B 47 10.205 3.954 9.976 1.00 0.00 N ATOM 737 CA THR B 47 11.402 4.410 9.305 1.00 0.00 C ATOM 738 C THR B 47 11.295 5.902 9.015 1.00 0.00 C ATOM 739 O THR B 47 10.339 6.356 8.394 1.00 0.00 O ATOM 740 CB THR B 47 11.622 3.649 7.987 1.00 0.00 C ATOM 741 OG1 THR B 47 11.565 2.236 8.225 1.00 0.00 O ATOM 742 CG2 THR B 47 12.966 4.015 7.378 1.00 0.00 C ATOM 0 H THR B 47 9.433 3.725 9.350 1.00 0.00 H new ATOM 0 HA THR B 47 12.251 4.220 9.961 1.00 0.00 H new ATOM 0 HB THR B 47 10.834 3.929 7.288 1.00 0.00 H new ATOM 0 HG1 THR B 47 10.705 1.886 7.911 1.00 0.00 H new ATOM 0 HG21 THR B 47 13.104 3.467 6.446 1.00 0.00 H new ATOM 0 HG22 THR B 47 12.995 5.086 7.177 1.00 0.00 H new ATOM 0 HG23 THR B 47 13.764 3.755 8.074 1.00 0.00 H new ATOM 750 N LYS B 48 12.286 6.654 9.472 1.00 0.00 N ATOM 751 CA LYS B 48 12.290 8.105 9.330 1.00 0.00 C ATOM 752 C LYS B 48 12.360 8.508 7.863 1.00 0.00 C ATOM 753 O LYS B 48 11.758 9.497 7.452 1.00 0.00 O ATOM 754 CB LYS B 48 13.482 8.689 10.085 1.00 0.00 C ATOM 755 CG LYS B 48 13.454 10.204 10.214 1.00 0.00 C ATOM 756 CD LYS B 48 12.266 10.689 11.033 1.00 0.00 C ATOM 757 CE LYS B 48 12.276 10.124 12.449 1.00 0.00 C ATOM 758 NZ LYS B 48 13.512 10.488 13.196 1.00 0.00 N1+ ATOM 0 H LYS B 48 13.106 6.279 9.949 1.00 0.00 H new ATOM 0 HA LYS B 48 11.363 8.497 9.748 1.00 0.00 H new ATOM 0 HB2 LYS B 48 13.517 8.251 11.082 1.00 0.00 H new ATOM 0 HB3 LYS B 48 14.400 8.395 9.576 1.00 0.00 H new ATOM 0 HG2 LYS B 48 14.378 10.544 10.681 1.00 0.00 H new ATOM 0 HG3 LYS B 48 13.415 10.651 9.221 1.00 0.00 H new ATOM 0 HD2 LYS B 48 12.278 11.778 11.078 1.00 0.00 H new ATOM 0 HD3 LYS B 48 11.341 10.400 10.535 1.00 0.00 H new ATOM 0 HE2 LYS B 48 11.405 10.493 12.991 1.00 0.00 H new ATOM 0 HE3 LYS B 48 12.188 9.038 12.405 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 13.414 10.199 14.190 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 14.329 10.003 12.773 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 13.657 11.517 13.147 1.00 0.00 H new ATOM 772 N ALA B 49 13.091 7.722 7.084 1.00 0.00 N ATOM 773 CA ALA B 49 13.236 7.958 5.650 1.00 0.00 C ATOM 774 C ALA B 49 11.941 7.659 4.899 1.00 0.00 C ATOM 775 O ALA B 49 11.838 7.904 3.698 1.00 0.00 O ATOM 776 CB ALA B 49 14.369 7.112 5.096 1.00 0.00 C ATOM 0 H ALA B 49 13.599 6.906 7.424 1.00 0.00 H new ATOM 0 HA ALA B 49 13.469 9.013 5.506 1.00 0.00 H new ATOM 0 HB1 ALA B 49 14.470 7.294 4.026 1.00 0.00 H new ATOM 0 HB2 ALA B 49 15.300 7.376 5.598 1.00 0.00 H new ATOM 0 HB3 ALA B 49 14.152 6.057 5.265 1.00 0.00 H new ATOM 782 N PHE B 50 10.969 7.105 5.610 1.00 0.00 N ATOM 783 CA PHE B 50 9.656 6.831 5.047 1.00 0.00 C ATOM 784 C PHE B 50 8.623 7.776 5.644 1.00 0.00 C ATOM 785 O PHE B 50 7.752 8.291 4.941 1.00 0.00 O ATOM 786 CB PHE B 50 9.244 5.383 5.326 1.00 0.00 C ATOM 787 CG PHE B 50 9.813 4.374 4.365 1.00 0.00 C ATOM 788 CD1 PHE B 50 11.159 4.372 4.041 1.00 0.00 C ATOM 789 CD2 PHE B 50 8.988 3.422 3.790 1.00 0.00 C ATOM 790 CE1 PHE B 50 11.673 3.440 3.158 1.00 0.00 C ATOM 791 CE2 PHE B 50 9.494 2.486 2.907 1.00 0.00 C ATOM 792 CZ PHE B 50 10.839 2.497 2.590 1.00 0.00 C ATOM 0 H PHE B 50 11.068 6.834 6.588 1.00 0.00 H new ATOM 0 HA PHE B 50 9.707 6.984 3.969 1.00 0.00 H new ATOM 0 HB2 PHE B 50 9.555 5.119 6.337 1.00 0.00 H new ATOM 0 HB3 PHE B 50 8.156 5.317 5.300 1.00 0.00 H new ATOM 0 HD1 PHE B 50 11.815 5.107 4.483 1.00 0.00 H new ATOM 0 HD2 PHE B 50 7.936 3.410 4.034 1.00 0.00 H new ATOM 0 HE1 PHE B 50 12.725 3.450 2.913 1.00 0.00 H new ATOM 0 HE2 PHE B 50 8.840 1.748 2.466 1.00 0.00 H new ATOM 0 HZ PHE B 50 11.238 1.769 1.899 1.00 0.00 H new ATOM 802 N ASP B 51 8.741 8.003 6.950 1.00 0.00 N ATOM 803 CA ASP B 51 7.780 8.820 7.688 1.00 0.00 C ATOM 804 C ASP B 51 7.723 10.235 7.140 1.00 0.00 C ATOM 805 O ASP B 51 6.651 10.835 7.058 1.00 0.00 O ATOM 806 CB ASP B 51 8.131 8.874 9.177 1.00 0.00 C ATOM 807 CG ASP B 51 7.155 9.726 9.962 1.00 0.00 C ATOM 808 OD1 ASP B 51 5.956 9.381 9.996 1.00 0.00 O ATOM 809 OD2 ASP B 51 7.591 10.738 10.557 1.00 0.00 O1- ATOM 0 H ASP B 51 9.498 7.630 7.523 1.00 0.00 H new ATOM 0 HA ASP B 51 6.804 8.351 7.565 1.00 0.00 H new ATOM 0 HB2 ASP B 51 8.138 7.863 9.584 1.00 0.00 H new ATOM 0 HB3 ASP B 51 9.138 9.273 9.297 1.00 0.00 H new ATOM 814 N ASP B 52 8.878 10.757 6.747 1.00 0.00 N ATOM 815 CA ASP B 52 8.971 12.135 6.292 1.00 0.00 C ATOM 816 C ASP B 52 8.091 12.361 5.067 1.00 0.00 C ATOM 817 O ASP B 52 7.450 13.398 4.946 1.00 0.00 O ATOM 818 CB ASP B 52 10.427 12.522 5.998 1.00 0.00 C ATOM 819 CG ASP B 52 10.906 12.087 4.629 1.00 0.00 C ATOM 820 OD1 ASP B 52 11.288 10.913 4.473 1.00 0.00 O ATOM 821 OD2 ASP B 52 10.929 12.930 3.708 1.00 0.00 O1- ATOM 0 H ASP B 52 9.761 10.247 6.735 1.00 0.00 H new ATOM 0 HA ASP B 52 8.609 12.779 7.094 1.00 0.00 H new ATOM 0 HB2 ASP B 52 10.531 13.604 6.083 1.00 0.00 H new ATOM 0 HB3 ASP B 52 11.072 12.079 6.757 1.00 0.00 H new ATOM 826 N ILE B 53 8.028 11.373 4.184 1.00 0.00 N ATOM 827 CA ILE B 53 7.190 11.463 2.996 1.00 0.00 C ATOM 828 C ILE B 53 5.722 11.467 3.385 1.00 0.00 C ATOM 829 O ILE B 53 4.922 12.222 2.831 1.00 0.00 O ATOM 830 CB ILE B 53 7.455 10.294 2.030 1.00 0.00 C ATOM 831 CG1 ILE B 53 8.908 10.318 1.574 1.00 0.00 C ATOM 832 CG2 ILE B 53 6.517 10.353 0.829 1.00 0.00 C ATOM 833 CD1 ILE B 53 9.616 9.013 1.798 1.00 0.00 C ATOM 0 H ILE B 53 8.548 10.499 4.268 1.00 0.00 H new ATOM 0 HA ILE B 53 7.440 12.396 2.490 1.00 0.00 H new ATOM 0 HB ILE B 53 7.263 9.360 2.558 1.00 0.00 H new ATOM 0 HG12 ILE B 53 8.946 10.568 0.514 1.00 0.00 H new ATOM 0 HG13 ILE B 53 9.437 11.108 2.107 1.00 0.00 H new ATOM 0 HG21 ILE B 53 6.726 9.516 0.163 1.00 0.00 H new ATOM 0 HG22 ILE B 53 5.484 10.296 1.171 1.00 0.00 H new ATOM 0 HG23 ILE B 53 6.670 11.290 0.293 1.00 0.00 H new ATOM 0 HD11 ILE B 53 10.647 9.094 1.453 1.00 0.00 H new ATOM 0 HD12 ILE B 53 9.607 8.772 2.861 1.00 0.00 H new ATOM 0 HD13 ILE B 53 9.109 8.224 1.243 1.00 0.00 H new ATOM 845 N TYR B 54 5.380 10.641 4.363 1.00 0.00 N ATOM 846 CA TYR B 54 4.008 10.542 4.829 1.00 0.00 C ATOM 847 C TYR B 54 3.533 11.873 5.409 1.00 0.00 C ATOM 848 O TYR B 54 2.340 12.182 5.388 1.00 0.00 O ATOM 849 CB TYR B 54 3.882 9.437 5.881 1.00 0.00 C ATOM 850 CG TYR B 54 2.451 9.120 6.238 1.00 0.00 C ATOM 851 CD1 TYR B 54 1.644 8.428 5.349 1.00 0.00 C ATOM 852 CD2 TYR B 54 1.900 9.523 7.449 1.00 0.00 C ATOM 853 CE1 TYR B 54 0.332 8.140 5.652 1.00 0.00 C ATOM 854 CE2 TYR B 54 0.583 9.240 7.759 1.00 0.00 C ATOM 855 CZ TYR B 54 -0.194 8.546 6.854 1.00 0.00 C ATOM 856 OH TYR B 54 -1.508 8.257 7.152 1.00 0.00 O ATOM 0 H TYR B 54 6.036 10.029 4.849 1.00 0.00 H new ATOM 0 HA TYR B 54 3.377 10.293 3.976 1.00 0.00 H new ATOM 0 HB2 TYR B 54 4.366 8.534 5.510 1.00 0.00 H new ATOM 0 HB3 TYR B 54 4.417 9.738 6.782 1.00 0.00 H new ATOM 0 HD1 TYR B 54 2.052 8.109 4.401 1.00 0.00 H new ATOM 0 HD2 TYR B 54 2.509 10.065 8.157 1.00 0.00 H new ATOM 0 HE1 TYR B 54 -0.281 7.597 4.948 1.00 0.00 H new ATOM 0 HE2 TYR B 54 0.165 9.560 8.702 1.00 0.00 H new ATOM 0 HH TYR B 54 -1.841 7.574 6.534 1.00 0.00 H new ATOM 866 N GLN B 55 4.472 12.663 5.915 1.00 0.00 N ATOM 867 CA GLN B 55 4.142 13.948 6.509 1.00 0.00 C ATOM 868 C GLN B 55 4.257 15.065 5.474 1.00 0.00 C ATOM 869 O GLN B 55 3.495 16.032 5.502 1.00 0.00 O ATOM 870 CB GLN B 55 5.072 14.239 7.690 1.00 0.00 C ATOM 871 CG GLN B 55 5.232 13.074 8.659 1.00 0.00 C ATOM 872 CD GLN B 55 3.919 12.604 9.256 1.00 0.00 C ATOM 873 OE1 GLN B 55 2.985 13.390 9.441 1.00 0.00 O ATOM 874 NE2 GLN B 55 3.845 11.323 9.581 1.00 0.00 N ATOM 0 H GLN B 55 5.466 12.435 5.925 1.00 0.00 H new ATOM 0 HA GLN B 55 3.113 13.906 6.865 1.00 0.00 H new ATOM 0 HB2 GLN B 55 6.054 14.515 7.306 1.00 0.00 H new ATOM 0 HB3 GLN B 55 4.689 15.101 8.236 1.00 0.00 H new ATOM 0 HG2 GLN B 55 5.705 12.241 8.139 1.00 0.00 H new ATOM 0 HG3 GLN B 55 5.904 13.370 9.465 1.00 0.00 H new ATOM 0 HE21 GLN B 55 4.640 10.707 9.411 1.00 0.00 H new ATOM 0 HE22 GLN B 55 2.993 10.952 10.001 1.00 0.00 H new ATOM 883 N ASN B 56 5.207 14.919 4.557 1.00 0.00 N ATOM 884 CA ASN B 56 5.488 15.949 3.556 1.00 0.00 C ATOM 885 C ASN B 56 4.499 15.900 2.396 1.00 0.00 C ATOM 886 O ASN B 56 4.152 16.931 1.821 1.00 0.00 O ATOM 887 CB ASN B 56 6.917 15.802 3.016 1.00 0.00 C ATOM 888 CG ASN B 56 7.979 16.337 3.962 1.00 0.00 C ATOM 889 OD1 ASN B 56 9.037 16.793 3.528 1.00 0.00 O ATOM 890 ND2 ASN B 56 7.713 16.283 5.257 1.00 0.00 N ATOM 0 H ASN B 56 5.801 14.093 4.484 1.00 0.00 H new ATOM 0 HA ASN B 56 5.383 16.913 4.053 1.00 0.00 H new ATOM 0 HB2 ASN B 56 7.116 14.749 2.817 1.00 0.00 H new ATOM 0 HB3 ASN B 56 6.993 16.326 2.063 1.00 0.00 H new ATOM 0 HD21 ASN B 56 8.396 16.626 5.933 1.00 0.00 H new ATOM 0 HD22 ASN B 56 6.825 15.898 5.580 1.00 0.00 H new ATOM 897 N SER B 57 4.031 14.707 2.067 1.00 0.00 N ATOM 898 CA SER B 57 3.158 14.526 0.923 1.00 0.00 C ATOM 899 C SER B 57 1.719 14.375 1.376 1.00 0.00 C ATOM 900 O SER B 57 1.233 13.271 1.625 1.00 0.00 O ATOM 901 CB SER B 57 3.592 13.313 0.099 1.00 0.00 C ATOM 902 OG SER B 57 4.910 13.485 -0.390 1.00 0.00 O ATOM 0 H SER B 57 4.242 13.850 2.578 1.00 0.00 H new ATOM 0 HA SER B 57 3.231 15.411 0.291 1.00 0.00 H new ATOM 0 HB2 SER B 57 3.541 12.413 0.712 1.00 0.00 H new ATOM 0 HB3 SER B 57 2.905 13.169 -0.735 1.00 0.00 H new ATOM 0 HG SER B 57 5.552 13.277 0.321 1.00 0.00 H new ATOM 908 N ALA B 58 1.042 15.499 1.480 1.00 0.00 N ATOM 909 CA ALA B 58 -0.340 15.523 1.905 1.00 0.00 C ATOM 910 C ALA B 58 -1.253 15.057 0.781 1.00 0.00 C ATOM 911 O ALA B 58 -2.404 14.682 1.013 1.00 0.00 O ATOM 912 CB ALA B 58 -0.708 16.916 2.362 1.00 0.00 C ATOM 0 H ALA B 58 1.433 16.418 1.273 1.00 0.00 H new ATOM 0 HA ALA B 58 -0.468 14.837 2.742 1.00 0.00 H new ATOM 0 HB1 ALA B 58 -1.750 16.931 2.682 1.00 0.00 H new ATOM 0 HB2 ALA B 58 -0.069 17.206 3.196 1.00 0.00 H new ATOM 0 HB3 ALA B 58 -0.571 17.617 1.539 1.00 0.00 H new ATOM 918 N GLU B 59 -0.727 15.068 -0.439 1.00 0.00 N ATOM 919 CA GLU B 59 -1.468 14.566 -1.587 1.00 0.00 C ATOM 920 C GLU B 59 -1.429 13.042 -1.593 1.00 0.00 C ATOM 921 O GLU B 59 -2.241 12.382 -2.234 1.00 0.00 O ATOM 922 CB GLU B 59 -0.920 15.146 -2.896 1.00 0.00 C ATOM 923 CG GLU B 59 0.562 14.907 -3.120 1.00 0.00 C ATOM 924 CD GLU B 59 1.072 15.601 -4.366 1.00 0.00 C ATOM 925 OE1 GLU B 59 1.032 14.993 -5.456 1.00 0.00 O ATOM 926 OE2 GLU B 59 1.506 16.767 -4.264 1.00 0.00 O1- ATOM 0 H GLU B 59 0.206 15.418 -0.657 1.00 0.00 H new ATOM 0 HA GLU B 59 -2.506 14.888 -1.507 1.00 0.00 H new ATOM 0 HB2 GLU B 59 -1.474 14.715 -3.730 1.00 0.00 H new ATOM 0 HB3 GLU B 59 -1.108 16.220 -2.909 1.00 0.00 H new ATOM 0 HG2 GLU B 59 1.120 15.262 -2.254 1.00 0.00 H new ATOM 0 HG3 GLU B 59 0.747 13.836 -3.201 1.00 0.00 H new ATOM 933 N LEU B 60 -0.467 12.498 -0.860 1.00 0.00 N ATOM 934 CA LEU B 60 -0.370 11.063 -0.644 1.00 0.00 C ATOM 935 C LEU B 60 -1.351 10.667 0.462 1.00 0.00 C ATOM 936 O LEU B 60 -1.949 9.592 0.436 1.00 0.00 O ATOM 937 CB LEU B 60 1.087 10.716 -0.275 1.00 0.00 C ATOM 938 CG LEU B 60 1.466 9.229 -0.160 1.00 0.00 C ATOM 939 CD1 LEU B 60 1.037 8.645 1.177 1.00 0.00 C ATOM 940 CD2 LEU B 60 0.871 8.428 -1.304 1.00 0.00 C ATOM 0 H LEU B 60 0.266 13.038 -0.400 1.00 0.00 H new ATOM 0 HA LEU B 60 -0.632 10.507 -1.544 1.00 0.00 H new ATOM 0 HB2 LEU B 60 1.738 11.170 -1.022 1.00 0.00 H new ATOM 0 HB3 LEU B 60 1.313 11.193 0.678 1.00 0.00 H new ATOM 0 HG LEU B 60 2.552 9.165 -0.220 1.00 0.00 H new ATOM 0 HD11 LEU B 60 1.321 7.594 1.223 1.00 0.00 H new ATOM 0 HD12 LEU B 60 1.526 9.188 1.985 1.00 0.00 H new ATOM 0 HD13 LEU B 60 -0.044 8.734 1.283 1.00 0.00 H new ATOM 0 HD21 LEU B 60 1.153 7.380 -1.200 1.00 0.00 H new ATOM 0 HD22 LEU B 60 -0.215 8.515 -1.283 1.00 0.00 H new ATOM 0 HD23 LEU B 60 1.247 8.813 -2.252 1.00 0.00 H new ATOM 952 N GLN B 61 -1.536 11.579 1.412 1.00 0.00 N ATOM 953 CA GLN B 61 -2.418 11.353 2.552 1.00 0.00 C ATOM 954 C GLN B 61 -3.894 11.397 2.153 1.00 0.00 C ATOM 955 O GLN B 61 -4.694 10.611 2.655 1.00 0.00 O ATOM 956 CB GLN B 61 -2.117 12.387 3.647 1.00 0.00 C ATOM 957 CG GLN B 61 -3.202 12.527 4.712 1.00 0.00 C ATOM 958 CD GLN B 61 -3.566 11.221 5.402 1.00 0.00 C ATOM 959 OE1 GLN B 61 -4.701 11.040 5.838 1.00 0.00 O ATOM 960 NE2 GLN B 61 -2.620 10.303 5.498 1.00 0.00 N ATOM 0 H GLN B 61 -1.081 12.492 1.413 1.00 0.00 H new ATOM 0 HA GLN B 61 -2.226 10.351 2.937 1.00 0.00 H new ATOM 0 HB2 GLN B 61 -1.181 12.116 4.136 1.00 0.00 H new ATOM 0 HB3 GLN B 61 -1.962 13.358 3.177 1.00 0.00 H new ATOM 0 HG2 GLN B 61 -2.868 13.242 5.464 1.00 0.00 H new ATOM 0 HG3 GLN B 61 -4.097 12.944 4.251 1.00 0.00 H new ATOM 0 HE21 GLN B 61 -1.689 10.489 5.124 1.00 0.00 H new ATOM 0 HE22 GLN B 61 -2.821 9.409 5.946 1.00 0.00 H new ATOM 969 N GLU B 62 -4.250 12.302 1.246 1.00 0.00 N ATOM 970 CA GLU B 62 -5.649 12.459 0.841 1.00 0.00 C ATOM 971 C GLU B 62 -6.199 11.156 0.261 1.00 0.00 C ATOM 972 O GLU B 62 -7.388 10.860 0.387 1.00 0.00 O ATOM 973 CB GLU B 62 -5.796 13.592 -0.179 1.00 0.00 C ATOM 974 CG GLU B 62 -5.122 13.312 -1.509 1.00 0.00 C ATOM 975 CD GLU B 62 -5.300 14.439 -2.502 1.00 0.00 C ATOM 976 OE1 GLU B 62 -4.672 15.502 -2.328 1.00 0.00 O1- ATOM 977 OE2 GLU B 62 -6.086 14.273 -3.458 1.00 0.00 O ATOM 0 H GLU B 62 -3.599 12.934 0.780 1.00 0.00 H new ATOM 0 HA GLU B 62 -6.226 12.713 1.730 1.00 0.00 H new ATOM 0 HB2 GLU B 62 -6.856 13.777 -0.352 1.00 0.00 H new ATOM 0 HB3 GLU B 62 -5.378 14.505 0.244 1.00 0.00 H new ATOM 0 HG2 GLU B 62 -4.058 13.143 -1.344 1.00 0.00 H new ATOM 0 HG3 GLU B 62 -5.529 12.393 -1.932 1.00 0.00 H new ATOM 984 N LEU B 63 -5.316 10.378 -0.352 1.00 0.00 N ATOM 985 CA LEU B 63 -5.683 9.096 -0.937 1.00 0.00 C ATOM 986 C LEU B 63 -5.964 8.081 0.161 1.00 0.00 C ATOM 987 O LEU B 63 -6.891 7.279 0.069 1.00 0.00 O ATOM 988 CB LEU B 63 -4.548 8.598 -1.827 1.00 0.00 C ATOM 989 CG LEU B 63 -4.076 9.599 -2.879 1.00 0.00 C ATOM 990 CD1 LEU B 63 -2.764 9.146 -3.489 1.00 0.00 C ATOM 991 CD2 LEU B 63 -5.130 9.780 -3.959 1.00 0.00 C ATOM 0 H LEU B 63 -4.330 10.617 -0.457 1.00 0.00 H new ATOM 0 HA LEU B 63 -6.584 9.222 -1.537 1.00 0.00 H new ATOM 0 HB2 LEU B 63 -3.701 8.328 -1.196 1.00 0.00 H new ATOM 0 HB3 LEU B 63 -4.872 7.688 -2.331 1.00 0.00 H new ATOM 0 HG LEU B 63 -3.918 10.561 -2.391 1.00 0.00 H new ATOM 0 HD11 LEU B 63 -2.441 9.870 -4.237 1.00 0.00 H new ATOM 0 HD12 LEU B 63 -2.007 9.069 -2.708 1.00 0.00 H new ATOM 0 HD13 LEU B 63 -2.899 8.173 -3.961 1.00 0.00 H new ATOM 0 HD21 LEU B 63 -4.774 10.497 -4.699 1.00 0.00 H new ATOM 0 HD22 LEU B 63 -5.322 8.823 -4.444 1.00 0.00 H new ATOM 0 HD23 LEU B 63 -6.052 10.150 -3.510 1.00 0.00 H new ATOM 1003 N LEU B 64 -5.170 8.153 1.219 1.00 0.00 N ATOM 1004 CA LEU B 64 -5.297 7.248 2.351 1.00 0.00 C ATOM 1005 C LEU B 64 -6.451 7.648 3.263 1.00 0.00 C ATOM 1006 O LEU B 64 -6.561 7.170 4.389 1.00 0.00 O ATOM 1007 CB LEU B 64 -3.988 7.218 3.136 1.00 0.00 C ATOM 1008 CG LEU B 64 -2.833 6.519 2.423 1.00 0.00 C ATOM 1009 CD1 LEU B 64 -1.538 6.751 3.176 1.00 0.00 C ATOM 1010 CD2 LEU B 64 -3.113 5.030 2.288 1.00 0.00 C ATOM 0 H LEU B 64 -4.421 8.839 1.317 1.00 0.00 H new ATOM 0 HA LEU B 64 -5.513 6.252 1.966 1.00 0.00 H new ATOM 0 HB2 LEU B 64 -3.692 8.242 3.361 1.00 0.00 H new ATOM 0 HB3 LEU B 64 -4.163 6.720 4.090 1.00 0.00 H new ATOM 0 HG LEU B 64 -2.734 6.940 1.422 1.00 0.00 H new ATOM 0 HD11 LEU B 64 -0.721 6.248 2.659 1.00 0.00 H new ATOM 0 HD12 LEU B 64 -1.332 7.820 3.225 1.00 0.00 H new ATOM 0 HD13 LEU B 64 -1.628 6.352 4.186 1.00 0.00 H new ATOM 0 HD21 LEU B 64 -2.279 4.548 1.777 1.00 0.00 H new ATOM 0 HD22 LEU B 64 -3.235 4.591 3.278 1.00 0.00 H new ATOM 0 HD23 LEU B 64 -4.026 4.882 1.711 1.00 0.00 H new ATOM 1022 N LYS B 65 -7.301 8.537 2.781 1.00 0.00 N ATOM 1023 CA LYS B 65 -8.515 8.880 3.498 1.00 0.00 C ATOM 1024 C LYS B 65 -9.694 8.123 2.904 1.00 0.00 C ATOM 1025 O LYS B 65 -10.805 8.160 3.433 1.00 0.00 O ATOM 1026 CB LYS B 65 -8.771 10.383 3.449 1.00 0.00 C ATOM 1027 CG LYS B 65 -7.668 11.207 4.085 1.00 0.00 C ATOM 1028 CD LYS B 65 -8.048 12.674 4.155 1.00 0.00 C ATOM 1029 CE LYS B 65 -6.969 13.499 4.834 1.00 0.00 C ATOM 1030 NZ LYS B 65 -6.678 13.017 6.212 1.00 0.00 N1+ ATOM 0 H LYS B 65 -7.173 9.033 1.899 1.00 0.00 H new ATOM 0 HA LYS B 65 -8.394 8.593 4.543 1.00 0.00 H new ATOM 0 HB2 LYS B 65 -8.889 10.689 2.410 1.00 0.00 H new ATOM 0 HB3 LYS B 65 -9.712 10.600 3.954 1.00 0.00 H new ATOM 0 HG2 LYS B 65 -7.464 10.833 5.089 1.00 0.00 H new ATOM 0 HG3 LYS B 65 -6.749 11.094 3.510 1.00 0.00 H new ATOM 0 HD2 LYS B 65 -8.218 13.055 3.148 1.00 0.00 H new ATOM 0 HD3 LYS B 65 -8.986 12.782 4.699 1.00 0.00 H new ATOM 0 HE2 LYS B 65 -6.057 13.463 4.238 1.00 0.00 H new ATOM 0 HE3 LYS B 65 -7.283 14.542 4.874 1.00 0.00 H new ATOM 0 HZ1 LYS B 65 -6.337 13.810 6.792 1.00 0.00 H new ATOM 0 HZ2 LYS B 65 -7.545 12.627 6.634 1.00 0.00 H new ATOM 0 HZ3 LYS B 65 -5.948 12.277 6.174 1.00 0.00 H new ATOM 1044 N TYR B 66 -9.440 7.439 1.797 1.00 0.00 N ATOM 1045 CA TYR B 66 -10.452 6.621 1.152 1.00 0.00 C ATOM 1046 C TYR B 66 -10.303 5.173 1.601 1.00 0.00 C ATOM 1047 O TYR B 66 -9.219 4.590 1.499 1.00 0.00 O ATOM 1048 CB TYR B 66 -10.325 6.705 -0.372 1.00 0.00 C ATOM 1049 CG TYR B 66 -10.479 8.099 -0.943 1.00 0.00 C ATOM 1050 CD1 TYR B 66 -11.733 8.672 -1.112 1.00 0.00 C ATOM 1051 CD2 TYR B 66 -9.364 8.838 -1.322 1.00 0.00 C ATOM 1052 CE1 TYR B 66 -11.872 9.941 -1.642 1.00 0.00 C ATOM 1053 CE2 TYR B 66 -9.494 10.107 -1.854 1.00 0.00 C ATOM 1054 CZ TYR B 66 -10.750 10.655 -2.012 1.00 0.00 C ATOM 1055 OH TYR B 66 -10.886 11.918 -2.540 1.00 0.00 O ATOM 0 H TYR B 66 -8.535 7.436 1.326 1.00 0.00 H new ATOM 0 HA TYR B 66 -11.435 6.994 1.439 1.00 0.00 H new ATOM 0 HB2 TYR B 66 -9.351 6.313 -0.664 1.00 0.00 H new ATOM 0 HB3 TYR B 66 -11.077 6.057 -0.822 1.00 0.00 H new ATOM 0 HD1 TYR B 66 -12.614 8.117 -0.825 1.00 0.00 H new ATOM 0 HD2 TYR B 66 -8.379 8.413 -1.199 1.00 0.00 H new ATOM 0 HE1 TYR B 66 -12.854 10.372 -1.766 1.00 0.00 H new ATOM 0 HE2 TYR B 66 -8.617 10.666 -2.144 1.00 0.00 H new ATOM 0 HH TYR B 66 -10.000 12.283 -2.747 1.00 0.00 H new ATOM 1065 N ASN B 67 -11.390 4.599 2.098 1.00 0.00 N ATOM 1066 CA ASN B 67 -11.383 3.227 2.593 1.00 0.00 C ATOM 1067 C ASN B 67 -11.218 2.225 1.457 1.00 0.00 C ATOM 1068 O ASN B 67 -10.784 1.100 1.679 1.00 0.00 O ATOM 1069 CB ASN B 67 -12.661 2.925 3.382 1.00 0.00 C ATOM 1070 CG ASN B 67 -12.681 3.591 4.745 1.00 0.00 C ATOM 1071 OD1 ASN B 67 -11.637 3.789 5.368 1.00 0.00 O ATOM 1072 ND2 ASN B 67 -13.868 3.927 5.226 1.00 0.00 N ATOM 0 H ASN B 67 -12.294 5.065 2.170 1.00 0.00 H new ATOM 0 HA ASN B 67 -10.527 3.126 3.260 1.00 0.00 H new ATOM 0 HB2 ASN B 67 -13.525 3.258 2.807 1.00 0.00 H new ATOM 0 HB3 ASN B 67 -12.759 1.847 3.508 1.00 0.00 H new ATOM 0 HD21 ASN B 67 -13.941 4.367 6.144 1.00 0.00 H new ATOM 0 HD22 ASN B 67 -14.710 3.746 4.679 1.00 0.00 H new ATOM 1079 N THR B 68 -11.549 2.643 0.240 1.00 0.00 N ATOM 1080 CA THR B 68 -11.355 1.813 -0.943 1.00 0.00 C ATOM 1081 C THR B 68 -9.865 1.637 -1.188 1.00 0.00 C ATOM 1082 O THR B 68 -9.369 0.525 -1.381 1.00 0.00 O ATOM 1083 CB THR B 68 -12.016 2.470 -2.179 1.00 0.00 C ATOM 1084 OG1 THR B 68 -13.443 2.443 -2.040 1.00 0.00 O ATOM 1085 CG2 THR B 68 -11.608 1.780 -3.477 1.00 0.00 C ATOM 0 H THR B 68 -11.956 3.558 0.047 1.00 0.00 H new ATOM 0 HA THR B 68 -11.820 0.841 -0.779 1.00 0.00 H new ATOM 0 HB THR B 68 -11.669 3.502 -2.230 1.00 0.00 H new ATOM 0 HG1 THR B 68 -13.856 2.862 -2.824 1.00 0.00 H new ATOM 0 HG21 THR B 68 -12.094 2.272 -4.319 1.00 0.00 H new ATOM 0 HG22 THR B 68 -10.526 1.840 -3.597 1.00 0.00 H new ATOM 0 HG23 THR B 68 -11.912 0.734 -3.444 1.00 0.00 H new ATOM 1093 N VAL B 69 -9.165 2.754 -1.129 1.00 0.00 N ATOM 1094 CA VAL B 69 -7.729 2.792 -1.319 1.00 0.00 C ATOM 1095 C VAL B 69 -7.025 1.938 -0.276 1.00 0.00 C ATOM 1096 O VAL B 69 -6.322 0.980 -0.607 1.00 0.00 O ATOM 1097 CB VAL B 69 -7.233 4.242 -1.212 1.00 0.00 C ATOM 1098 CG1 VAL B 69 -5.728 4.326 -1.364 1.00 0.00 C ATOM 1099 CG2 VAL B 69 -7.927 5.096 -2.252 1.00 0.00 C ATOM 0 H VAL B 69 -9.581 3.667 -0.946 1.00 0.00 H new ATOM 0 HA VAL B 69 -7.500 2.395 -2.308 1.00 0.00 H new ATOM 0 HB VAL B 69 -7.479 4.618 -0.219 1.00 0.00 H new ATOM 0 HG11 VAL B 69 -5.412 5.366 -1.283 1.00 0.00 H new ATOM 0 HG12 VAL B 69 -5.250 3.739 -0.580 1.00 0.00 H new ATOM 0 HG13 VAL B 69 -5.438 3.933 -2.339 1.00 0.00 H new ATOM 0 HG21 VAL B 69 -7.573 6.124 -2.174 1.00 0.00 H new ATOM 0 HG22 VAL B 69 -7.704 4.710 -3.247 1.00 0.00 H new ATOM 0 HG23 VAL B 69 -9.004 5.069 -2.085 1.00 0.00 H new ATOM 1109 N LYS B 70 -7.246 2.291 0.979 1.00 0.00 N ATOM 1110 CA LYS B 70 -6.639 1.589 2.107 1.00 0.00 C ATOM 1111 C LYS B 70 -6.971 0.096 2.101 1.00 0.00 C ATOM 1112 O LYS B 70 -6.147 -0.724 2.490 1.00 0.00 O ATOM 1113 CB LYS B 70 -7.085 2.218 3.429 1.00 0.00 C ATOM 1114 CG LYS B 70 -6.583 3.639 3.629 1.00 0.00 C ATOM 1115 CD LYS B 70 -6.977 4.186 4.992 1.00 0.00 C ATOM 1116 CE LYS B 70 -8.472 4.436 5.093 1.00 0.00 C ATOM 1117 NZ LYS B 70 -8.859 4.941 6.436 1.00 0.00 N1+ ATOM 0 H LYS B 70 -7.848 3.069 1.249 1.00 0.00 H new ATOM 0 HA LYS B 70 -5.558 1.688 2.004 1.00 0.00 H new ATOM 0 HB2 LYS B 70 -8.174 2.217 3.472 1.00 0.00 H new ATOM 0 HB3 LYS B 70 -6.733 1.598 4.253 1.00 0.00 H new ATOM 0 HG2 LYS B 70 -5.498 3.660 3.528 1.00 0.00 H new ATOM 0 HG3 LYS B 70 -6.988 4.282 2.848 1.00 0.00 H new ATOM 0 HD2 LYS B 70 -6.674 3.482 5.767 1.00 0.00 H new ATOM 0 HD3 LYS B 70 -6.440 5.116 5.179 1.00 0.00 H new ATOM 0 HE2 LYS B 70 -8.772 5.158 4.333 1.00 0.00 H new ATOM 0 HE3 LYS B 70 -9.010 3.511 4.884 1.00 0.00 H new ATOM 0 HZ1 LYS B 70 -9.896 4.954 6.516 1.00 0.00 H new ATOM 0 HZ2 LYS B 70 -8.463 4.318 7.169 1.00 0.00 H new ATOM 0 HZ3 LYS B 70 -8.489 5.905 6.564 1.00 0.00 H new ATOM 1131 N PHE B 71 -8.168 -0.251 1.640 1.00 0.00 N ATOM 1132 CA PHE B 71 -8.612 -1.642 1.622 1.00 0.00 C ATOM 1133 C PHE B 71 -7.723 -2.490 0.720 1.00 0.00 C ATOM 1134 O PHE B 71 -7.214 -3.533 1.132 1.00 0.00 O ATOM 1135 CB PHE B 71 -10.071 -1.719 1.161 1.00 0.00 C ATOM 1136 CG PHE B 71 -10.517 -3.088 0.732 1.00 0.00 C ATOM 1137 CD1 PHE B 71 -10.744 -4.089 1.659 1.00 0.00 C ATOM 1138 CD2 PHE B 71 -10.709 -3.367 -0.609 1.00 0.00 C ATOM 1139 CE1 PHE B 71 -11.155 -5.345 1.254 1.00 0.00 C ATOM 1140 CE2 PHE B 71 -11.118 -4.616 -1.020 1.00 0.00 C ATOM 1141 CZ PHE B 71 -11.343 -5.608 -0.088 1.00 0.00 C ATOM 0 H PHE B 71 -8.850 0.413 1.273 1.00 0.00 H new ATOM 0 HA PHE B 71 -8.537 -2.040 2.634 1.00 0.00 H new ATOM 0 HB2 PHE B 71 -10.714 -1.379 1.973 1.00 0.00 H new ATOM 0 HB3 PHE B 71 -10.214 -1.027 0.331 1.00 0.00 H new ATOM 0 HD1 PHE B 71 -10.599 -3.887 2.710 1.00 0.00 H new ATOM 0 HD2 PHE B 71 -10.536 -2.595 -1.344 1.00 0.00 H new ATOM 0 HE1 PHE B 71 -11.329 -6.119 1.986 1.00 0.00 H new ATOM 0 HE2 PHE B 71 -11.262 -4.819 -2.071 1.00 0.00 H new ATOM 0 HZ PHE B 71 -11.665 -6.588 -0.408 1.00 0.00 H new ATOM 1151 N HIS B 72 -7.529 -2.030 -0.508 1.00 0.00 N ATOM 1152 CA HIS B 72 -6.732 -2.770 -1.480 1.00 0.00 C ATOM 1153 C HIS B 72 -5.274 -2.836 -1.043 1.00 0.00 C ATOM 1154 O HIS B 72 -4.605 -3.850 -1.237 1.00 0.00 O ATOM 1155 CB HIS B 72 -6.835 -2.130 -2.864 1.00 0.00 C ATOM 1156 CG HIS B 72 -8.226 -2.100 -3.414 1.00 0.00 C ATOM 1157 ND1 HIS B 72 -9.009 -3.222 -3.566 1.00 0.00 N ATOM 1158 CD2 HIS B 72 -8.984 -1.063 -3.818 1.00 0.00 C ATOM 1159 CE1 HIS B 72 -10.191 -2.868 -4.035 1.00 0.00 C ATOM 1160 NE2 HIS B 72 -10.202 -1.562 -4.200 1.00 0.00 N ATOM 0 H HIS B 72 -7.911 -1.150 -0.856 1.00 0.00 H new ATOM 0 HA HIS B 72 -7.126 -3.785 -1.535 1.00 0.00 H new ATOM 0 HB2 HIS B 72 -6.453 -1.110 -2.812 1.00 0.00 H new ATOM 0 HB3 HIS B 72 -6.193 -2.676 -3.555 1.00 0.00 H new ATOM 0 HD2 HIS B 72 -8.686 -0.025 -3.838 1.00 0.00 H new ATOM 0 HE1 HIS B 72 -11.011 -3.537 -4.248 1.00 0.00 H new ATOM 0 HE2 HIS B 72 -10.986 -1.013 -4.553 1.00 0.00 H new ATOM 1169 N LEU B 73 -4.797 -1.758 -0.436 1.00 0.00 N ATOM 1170 CA LEU B 73 -3.422 -1.695 0.040 1.00 0.00 C ATOM 1171 C LEU B 73 -3.220 -2.612 1.245 1.00 0.00 C ATOM 1172 O LEU B 73 -2.181 -3.251 1.384 1.00 0.00 O ATOM 1173 CB LEU B 73 -3.056 -0.258 0.407 1.00 0.00 C ATOM 1174 CG LEU B 73 -3.120 0.754 -0.740 1.00 0.00 C ATOM 1175 CD1 LEU B 73 -2.829 2.156 -0.227 1.00 0.00 C ATOM 1176 CD2 LEU B 73 -2.143 0.381 -1.846 1.00 0.00 C ATOM 0 H LEU B 73 -5.343 -0.914 -0.261 1.00 0.00 H new ATOM 0 HA LEU B 73 -2.768 -2.035 -0.763 1.00 0.00 H new ATOM 0 HB2 LEU B 73 -3.724 0.077 1.201 1.00 0.00 H new ATOM 0 HB3 LEU B 73 -2.046 -0.253 0.817 1.00 0.00 H new ATOM 0 HG LEU B 73 -4.128 0.736 -1.155 1.00 0.00 H new ATOM 0 HD11 LEU B 73 -2.878 2.864 -1.055 1.00 0.00 H new ATOM 0 HD12 LEU B 73 -3.567 2.428 0.528 1.00 0.00 H new ATOM 0 HD13 LEU B 73 -1.833 2.182 0.214 1.00 0.00 H new ATOM 0 HD21 LEU B 73 -2.206 1.114 -2.650 1.00 0.00 H new ATOM 0 HD22 LEU B 73 -1.129 0.367 -1.446 1.00 0.00 H new ATOM 0 HD23 LEU B 73 -2.393 -0.606 -2.235 1.00 0.00 H new ATOM 1188 N ALA B 74 -4.222 -2.683 2.112 1.00 0.00 N ATOM 1189 CA ALA B 74 -4.147 -3.540 3.289 1.00 0.00 C ATOM 1190 C ALA B 74 -4.117 -5.009 2.889 1.00 0.00 C ATOM 1191 O ALA B 74 -3.533 -5.841 3.585 1.00 0.00 O ATOM 1192 CB ALA B 74 -5.308 -3.264 4.226 1.00 0.00 C ATOM 0 H ALA B 74 -5.093 -2.160 2.023 1.00 0.00 H new ATOM 0 HA ALA B 74 -3.220 -3.313 3.815 1.00 0.00 H new ATOM 0 HB1 ALA B 74 -5.234 -3.914 5.098 1.00 0.00 H new ATOM 0 HB2 ALA B 74 -5.278 -2.222 4.546 1.00 0.00 H new ATOM 0 HB3 ALA B 74 -6.247 -3.458 3.708 1.00 0.00 H new ATOM 1198 N LYS B 75 -4.738 -5.320 1.757 1.00 0.00 N ATOM 1199 CA LYS B 75 -4.726 -6.678 1.234 1.00 0.00 C ATOM 1200 C LYS B 75 -3.309 -7.108 0.869 1.00 0.00 C ATOM 1201 O LYS B 75 -2.962 -8.284 0.993 1.00 0.00 O ATOM 1202 CB LYS B 75 -5.646 -6.806 0.018 1.00 0.00 C ATOM 1203 CG LYS B 75 -7.126 -6.740 0.365 1.00 0.00 C ATOM 1204 CD LYS B 75 -8.005 -6.944 -0.861 1.00 0.00 C ATOM 1205 CE LYS B 75 -7.696 -8.260 -1.561 1.00 0.00 C ATOM 1206 NZ LYS B 75 -8.669 -8.562 -2.645 1.00 0.00 N1+ ATOM 0 H LYS B 75 -5.255 -4.651 1.186 1.00 0.00 H new ATOM 0 HA LYS B 75 -5.098 -7.338 2.018 1.00 0.00 H new ATOM 0 HB2 LYS B 75 -5.411 -6.011 -0.690 1.00 0.00 H new ATOM 0 HB3 LYS B 75 -5.441 -7.751 -0.485 1.00 0.00 H new ATOM 0 HG2 LYS B 75 -7.359 -7.501 1.110 1.00 0.00 H new ATOM 0 HG3 LYS B 75 -7.351 -5.774 0.816 1.00 0.00 H new ATOM 0 HD2 LYS B 75 -9.054 -6.927 -0.564 1.00 0.00 H new ATOM 0 HD3 LYS B 75 -7.857 -6.118 -1.557 1.00 0.00 H new ATOM 0 HE2 LYS B 75 -6.690 -8.220 -1.979 1.00 0.00 H new ATOM 0 HE3 LYS B 75 -7.706 -9.069 -0.831 1.00 0.00 H new ATOM 0 HZ1 LYS B 75 -8.419 -9.467 -3.093 1.00 0.00 H new ATOM 0 HZ2 LYS B 75 -9.626 -8.627 -2.244 1.00 0.00 H new ATOM 0 HZ3 LYS B 75 -8.642 -7.804 -3.357 1.00 0.00 H new ATOM 1220 N VAL B 76 -2.486 -6.157 0.435 1.00 0.00 N ATOM 1221 CA VAL B 76 -1.102 -6.465 0.106 1.00 0.00 C ATOM 1222 C VAL B 76 -0.268 -6.509 1.382 1.00 0.00 C ATOM 1223 O VAL B 76 0.664 -7.299 1.496 1.00 0.00 O ATOM 1224 CB VAL B 76 -0.485 -5.460 -0.910 1.00 0.00 C ATOM 1225 CG1 VAL B 76 -1.521 -5.028 -1.934 1.00 0.00 C ATOM 1226 CG2 VAL B 76 0.135 -4.248 -0.226 1.00 0.00 C ATOM 0 H VAL B 76 -2.751 -5.181 0.305 1.00 0.00 H new ATOM 0 HA VAL B 76 -1.093 -7.442 -0.378 1.00 0.00 H new ATOM 0 HB VAL B 76 0.322 -5.982 -1.424 1.00 0.00 H new ATOM 0 HG11 VAL B 76 -1.069 -4.326 -2.635 1.00 0.00 H new ATOM 0 HG12 VAL B 76 -1.882 -5.901 -2.477 1.00 0.00 H new ATOM 0 HG13 VAL B 76 -2.356 -4.547 -1.426 1.00 0.00 H new ATOM 0 HG21 VAL B 76 0.551 -3.579 -0.979 1.00 0.00 H new ATOM 0 HG22 VAL B 76 -0.630 -3.722 0.345 1.00 0.00 H new ATOM 0 HG23 VAL B 76 0.928 -4.576 0.446 1.00 0.00 H new ATOM 1236 N TYR B 77 -0.641 -5.677 2.354 1.00 0.00 N ATOM 1237 CA TYR B 77 0.040 -5.632 3.643 1.00 0.00 C ATOM 1238 C TYR B 77 -0.006 -6.995 4.323 1.00 0.00 C ATOM 1239 O TYR B 77 0.981 -7.441 4.919 1.00 0.00 O ATOM 1240 CB TYR B 77 -0.598 -4.565 4.541 1.00 0.00 C ATOM 1241 CG TYR B 77 -0.121 -4.605 5.975 1.00 0.00 C ATOM 1242 CD1 TYR B 77 1.230 -4.703 6.277 1.00 0.00 C ATOM 1243 CD2 TYR B 77 -1.026 -4.558 7.029 1.00 0.00 C ATOM 1244 CE1 TYR B 77 1.668 -4.750 7.583 1.00 0.00 C ATOM 1245 CE2 TYR B 77 -0.595 -4.604 8.339 1.00 0.00 C ATOM 1246 CZ TYR B 77 0.754 -4.699 8.609 1.00 0.00 C ATOM 1247 OH TYR B 77 1.191 -4.749 9.911 1.00 0.00 O ATOM 0 H TYR B 77 -1.418 -5.021 2.269 1.00 0.00 H new ATOM 0 HA TYR B 77 1.084 -5.370 3.474 1.00 0.00 H new ATOM 0 HB2 TYR B 77 -0.385 -3.580 4.125 1.00 0.00 H new ATOM 0 HB3 TYR B 77 -1.681 -4.691 4.525 1.00 0.00 H new ATOM 0 HD1 TYR B 77 1.951 -4.743 5.474 1.00 0.00 H new ATOM 0 HD2 TYR B 77 -2.083 -4.484 6.819 1.00 0.00 H new ATOM 0 HE1 TYR B 77 2.723 -4.826 7.799 1.00 0.00 H new ATOM 0 HE2 TYR B 77 -1.310 -4.566 9.148 1.00 0.00 H new ATOM 0 HH TYR B 77 0.422 -4.701 10.516 1.00 0.00 H new ATOM 1257 N ARG B 78 -1.149 -7.657 4.220 1.00 0.00 N ATOM 1258 CA ARG B 78 -1.304 -8.992 4.780 1.00 0.00 C ATOM 1259 C ARG B 78 -0.330 -9.956 4.124 1.00 0.00 C ATOM 1260 O ARG B 78 0.153 -10.891 4.753 1.00 0.00 O ATOM 1261 CB ARG B 78 -2.729 -9.489 4.594 1.00 0.00 C ATOM 1262 CG ARG B 78 -3.753 -8.585 5.238 1.00 0.00 C ATOM 1263 CD ARG B 78 -5.103 -9.262 5.346 1.00 0.00 C ATOM 1264 NE ARG B 78 -5.614 -9.689 4.045 1.00 0.00 N ATOM 1265 CZ ARG B 78 -6.843 -9.429 3.603 1.00 0.00 C ATOM 1266 NH1 ARG B 78 -7.660 -8.658 4.310 1.00 0.00 N1+ ATOM 1267 NH2 ARG B 78 -7.241 -9.918 2.435 1.00 0.00 N ATOM 0 H ARG B 78 -1.981 -7.293 3.755 1.00 0.00 H new ATOM 0 HA ARG B 78 -1.088 -8.941 5.847 1.00 0.00 H new ATOM 0 HB2 ARG B 78 -2.944 -9.572 3.529 1.00 0.00 H new ATOM 0 HB3 ARG B 78 -2.818 -10.490 5.016 1.00 0.00 H new ATOM 0 HG2 ARG B 78 -3.410 -8.295 6.231 1.00 0.00 H new ATOM 0 HG3 ARG B 78 -3.850 -7.670 4.654 1.00 0.00 H new ATOM 0 HD2 ARG B 78 -5.022 -10.127 6.004 1.00 0.00 H new ATOM 0 HD3 ARG B 78 -5.815 -8.577 5.807 1.00 0.00 H new ATOM 0 HE ARG B 78 -4.990 -10.220 3.437 1.00 0.00 H new ATOM 0 HH11 ARG B 78 -7.347 -8.262 5.196 1.00 0.00 H new ATOM 0 HH12 ARG B 78 -8.600 -8.462 3.967 1.00 0.00 H new ATOM 0 HH21 ARG B 78 -6.606 -10.491 1.879 1.00 0.00 H new ATOM 0 HH22 ARG B 78 -8.182 -9.721 2.093 1.00 0.00 H new ATOM 1281 N ILE B 79 -0.031 -9.701 2.859 1.00 0.00 N ATOM 1282 CA ILE B 79 0.885 -10.540 2.104 1.00 0.00 C ATOM 1283 C ILE B 79 2.314 -10.375 2.602 1.00 0.00 C ATOM 1284 O ILE B 79 2.992 -11.361 2.866 1.00 0.00 O ATOM 1285 CB ILE B 79 0.842 -10.224 0.597 1.00 0.00 C ATOM 1286 CG1 ILE B 79 -0.581 -10.361 0.061 1.00 0.00 C ATOM 1287 CG2 ILE B 79 1.788 -11.143 -0.162 1.00 0.00 C ATOM 1288 CD1 ILE B 79 -0.710 -9.992 -1.399 1.00 0.00 C ATOM 0 H ILE B 79 -0.412 -8.915 2.332 1.00 0.00 H new ATOM 0 HA ILE B 79 0.561 -11.569 2.256 1.00 0.00 H new ATOM 0 HB ILE B 79 1.166 -9.194 0.450 1.00 0.00 H new ATOM 0 HG12 ILE B 79 -0.916 -11.389 0.199 1.00 0.00 H new ATOM 0 HG13 ILE B 79 -1.245 -9.727 0.648 1.00 0.00 H new ATOM 0 HG21 ILE B 79 1.747 -10.909 -1.226 1.00 0.00 H new ATOM 0 HG22 ILE B 79 2.805 -11.000 0.203 1.00 0.00 H new ATOM 0 HG23 ILE B 79 1.490 -12.180 -0.007 1.00 0.00 H new ATOM 0 HD11 ILE B 79 -1.746 -10.112 -1.714 1.00 0.00 H new ATOM 0 HD12 ILE B 79 -0.405 -8.955 -1.540 1.00 0.00 H new ATOM 0 HD13 ILE B 79 -0.071 -10.642 -1.996 1.00 0.00 H new ATOM 1300 N LEU B 80 2.761 -9.123 2.742 1.00 0.00 N ATOM 1301 CA LEU B 80 4.132 -8.842 3.182 1.00 0.00 C ATOM 1302 C LEU B 80 4.429 -9.483 4.530 1.00 0.00 C ATOM 1303 O LEU B 80 5.584 -9.779 4.845 1.00 0.00 O ATOM 1304 CB LEU B 80 4.411 -7.335 3.278 1.00 0.00 C ATOM 1305 CG LEU B 80 4.673 -6.600 1.957 1.00 0.00 C ATOM 1306 CD1 LEU B 80 5.485 -7.460 1.004 1.00 0.00 C ATOM 1307 CD2 LEU B 80 3.376 -6.149 1.317 1.00 0.00 C ATOM 0 H LEU B 80 2.198 -8.293 2.558 1.00 0.00 H new ATOM 0 HA LEU B 80 4.785 -9.273 2.423 1.00 0.00 H new ATOM 0 HB2 LEU B 80 3.561 -6.862 3.769 1.00 0.00 H new ATOM 0 HB3 LEU B 80 5.275 -7.189 3.926 1.00 0.00 H new ATOM 0 HG LEU B 80 5.260 -5.709 2.182 1.00 0.00 H new ATOM 0 HD11 LEU B 80 5.655 -6.914 0.076 1.00 0.00 H new ATOM 0 HD12 LEU B 80 6.443 -7.705 1.462 1.00 0.00 H new ATOM 0 HD13 LEU B 80 4.940 -8.379 0.789 1.00 0.00 H new ATOM 0 HD21 LEU B 80 3.592 -5.631 0.383 1.00 0.00 H new ATOM 0 HD22 LEU B 80 2.749 -7.017 1.114 1.00 0.00 H new ATOM 0 HD23 LEU B 80 2.852 -5.474 1.993 1.00 0.00 H new ATOM 1319 N SER B 81 3.391 -9.685 5.323 1.00 0.00 N ATOM 1320 CA SER B 81 3.551 -10.305 6.618 1.00 0.00 C ATOM 1321 C SER B 81 3.418 -11.824 6.521 1.00 0.00 C ATOM 1322 O SER B 81 4.283 -12.556 7.004 1.00 0.00 O ATOM 1323 CB SER B 81 2.536 -9.719 7.600 1.00 0.00 C ATOM 1324 OG SER B 81 1.286 -9.495 6.969 1.00 0.00 O ATOM 0 H SER B 81 2.432 -9.428 5.090 1.00 0.00 H new ATOM 0 HA SER B 81 4.554 -10.093 6.988 1.00 0.00 H new ATOM 0 HB2 SER B 81 2.405 -10.399 8.442 1.00 0.00 H new ATOM 0 HB3 SER B 81 2.916 -8.781 8.004 1.00 0.00 H new ATOM 0 HG SER B 81 1.122 -10.200 6.308 1.00 0.00 H new ATOM 1330 N SER B 82 2.354 -12.301 5.878 1.00 0.00 N ATOM 1331 CA SER B 82 2.135 -13.738 5.730 1.00 0.00 C ATOM 1332 C SER B 82 1.132 -14.040 4.618 1.00 0.00 C ATOM 1333 O SER B 82 -0.008 -13.576 4.653 1.00 0.00 O ATOM 1334 CB SER B 82 1.610 -14.344 7.037 1.00 0.00 C ATOM 1335 OG SER B 82 2.477 -14.088 8.132 1.00 0.00 O ATOM 0 H SER B 82 1.634 -11.717 5.453 1.00 0.00 H new ATOM 0 HA SER B 82 3.098 -14.181 5.474 1.00 0.00 H new ATOM 0 HB2 SER B 82 0.623 -13.936 7.254 1.00 0.00 H new ATOM 0 HB3 SER B 82 1.490 -15.420 6.914 1.00 0.00 H new ATOM 0 HG SER B 82 3.347 -13.785 7.797 1.00 0.00 H new ATOM 1341 N THR B 83 1.552 -14.820 3.631 1.00 0.00 N ATOM 1342 CA THR B 83 0.624 -15.313 2.623 1.00 0.00 C ATOM 1343 C THR B 83 -0.084 -16.556 3.151 1.00 0.00 C ATOM 1344 O THR B 83 -1.222 -16.844 2.786 1.00 0.00 O ATOM 1345 CB THR B 83 1.326 -15.634 1.280 1.00 0.00 C ATOM 1346 OG1 THR B 83 0.376 -16.125 0.326 1.00 0.00 O ATOM 1347 CG2 THR B 83 2.439 -16.660 1.460 1.00 0.00 C ATOM 0 H THR B 83 2.518 -15.122 3.507 1.00 0.00 H new ATOM 0 HA THR B 83 -0.100 -14.523 2.425 1.00 0.00 H new ATOM 0 HB THR B 83 1.768 -14.707 0.914 1.00 0.00 H new ATOM 0 HG1 THR B 83 0.833 -16.322 -0.518 1.00 0.00 H new ATOM 0 HG21 THR B 83 2.909 -16.860 0.497 1.00 0.00 H new ATOM 0 HG22 THR B 83 3.185 -16.270 2.153 1.00 0.00 H new ATOM 0 HG23 THR B 83 2.021 -17.584 1.859 1.00 0.00 H new ATOM 1355 N VAL B 84 0.598 -17.276 4.031 1.00 0.00 N ATOM 1356 CA VAL B 84 0.032 -18.457 4.660 1.00 0.00 C ATOM 1357 C VAL B 84 -0.032 -18.264 6.169 1.00 0.00 C ATOM 1358 O VAL B 84 0.306 -17.196 6.678 1.00 0.00 O ATOM 1359 CB VAL B 84 0.844 -19.732 4.329 1.00 0.00 C ATOM 1360 CG1 VAL B 84 0.675 -20.111 2.866 1.00 0.00 C ATOM 1361 CG2 VAL B 84 2.316 -19.541 4.659 1.00 0.00 C ATOM 0 H VAL B 84 1.550 -17.059 4.326 1.00 0.00 H new ATOM 0 HA VAL B 84 -0.974 -18.590 4.263 1.00 0.00 H new ATOM 0 HB VAL B 84 0.459 -20.544 4.945 1.00 0.00 H new ATOM 0 HG11 VAL B 84 1.254 -21.010 2.654 1.00 0.00 H new ATOM 0 HG12 VAL B 84 -0.378 -20.300 2.658 1.00 0.00 H new ATOM 0 HG13 VAL B 84 1.028 -19.295 2.236 1.00 0.00 H new ATOM 0 HG21 VAL B 84 2.864 -20.452 4.417 1.00 0.00 H new ATOM 0 HG22 VAL B 84 2.715 -18.711 4.075 1.00 0.00 H new ATOM 0 HG23 VAL B 84 2.425 -19.323 5.721 1.00 0.00 H new ATOM 1371 N ASN B 85 -0.443 -19.304 6.882 1.00 0.00 N ATOM 1372 CA ASN B 85 -0.632 -19.227 8.332 1.00 0.00 C ATOM 1373 C ASN B 85 0.692 -19.283 9.089 1.00 0.00 C ATOM 1374 O ASN B 85 0.713 -19.420 10.315 1.00 0.00 O ATOM 1375 CB ASN B 85 -1.545 -20.359 8.812 1.00 0.00 C ATOM 1376 CG ASN B 85 -0.980 -21.736 8.511 1.00 0.00 C ATOM 1377 OD1 ASN B 85 -0.186 -22.279 9.279 1.00 0.00 O ATOM 1378 ND2 ASN B 85 -1.398 -22.322 7.401 1.00 0.00 N ATOM 0 H ASN B 85 -0.654 -20.218 6.481 1.00 0.00 H new ATOM 0 HA ASN B 85 -1.097 -18.264 8.542 1.00 0.00 H new ATOM 0 HB2 ASN B 85 -1.702 -20.262 9.886 1.00 0.00 H new ATOM 0 HB3 ASN B 85 -2.521 -20.259 8.337 1.00 0.00 H new ATOM 0 HD21 ASN B 85 -1.062 -23.254 7.158 1.00 0.00 H new ATOM 0 HD22 ASN B 85 -2.057 -21.842 6.788 1.00 0.00 H new ATOM 1385 N ASP B 86 1.781 -19.153 8.357 1.00 0.00 N ATOM 1386 CA ASP B 86 3.124 -19.204 8.929 1.00 0.00 C ATOM 1387 C ASP B 86 4.162 -18.850 7.866 1.00 0.00 C ATOM 1388 O ASP B 86 4.485 -17.679 7.679 1.00 0.00 O ATOM 1389 CB ASP B 86 3.409 -20.590 9.528 1.00 0.00 C ATOM 1390 CG ASP B 86 4.838 -20.741 10.009 1.00 0.00 C ATOM 1391 OD1 ASP B 86 5.234 -20.037 10.962 1.00 0.00 O1- ATOM 1392 OD2 ASP B 86 5.578 -21.561 9.424 1.00 0.00 O ATOM 0 H ASP B 86 1.766 -19.009 7.347 1.00 0.00 H new ATOM 0 HA ASP B 86 3.187 -18.471 9.734 1.00 0.00 H new ATOM 0 HB2 ASP B 86 2.730 -20.767 10.362 1.00 0.00 H new ATOM 0 HB3 ASP B 86 3.200 -21.354 8.779 1.00 0.00 H new ATOM 1397 N GLY B 87 4.657 -19.848 7.148 1.00 0.00 N ATOM 1398 CA GLY B 87 5.645 -19.595 6.117 1.00 0.00 C ATOM 1399 C GLY B 87 7.063 -19.554 6.658 1.00 0.00 C ATOM 1400 O GLY B 87 7.923 -18.870 6.103 1.00 0.00 O ATOM 0 H GLY B 87 4.393 -20.827 7.260 1.00 0.00 H new ATOM 0 HA2 GLY B 87 5.574 -20.371 5.354 1.00 0.00 H new ATOM 0 HA3 GLY B 87 5.420 -18.647 5.629 1.00 0.00 H new ATOM 1404 N SER B 88 7.310 -20.273 7.742 1.00 0.00 N ATOM 1405 CA SER B 88 8.646 -20.359 8.307 1.00 0.00 C ATOM 1406 C SER B 88 9.385 -21.559 7.725 1.00 0.00 C ATOM 1407 O SER B 88 8.939 -22.700 7.864 1.00 0.00 O ATOM 1408 CB SER B 88 8.574 -20.481 9.829 1.00 0.00 C ATOM 1409 OG SER B 88 7.776 -19.450 10.393 1.00 0.00 O ATOM 0 H SER B 88 6.602 -20.805 8.248 1.00 0.00 H new ATOM 0 HA SER B 88 9.189 -19.449 8.053 1.00 0.00 H new ATOM 0 HB2 SER B 88 8.160 -21.453 10.099 1.00 0.00 H new ATOM 0 HB3 SER B 88 9.579 -20.435 10.247 1.00 0.00 H new ATOM 0 HG SER B 88 6.983 -19.843 10.813 1.00 0.00 H new ATOM 1415 N SER B 89 10.491 -21.300 7.039 1.00 0.00 N ATOM 1416 CA SER B 89 11.304 -22.364 6.459 1.00 0.00 C ATOM 1417 C SER B 89 12.759 -21.919 6.317 1.00 0.00 C ATOM 1418 O SER B 89 13.533 -22.506 5.556 1.00 0.00 O ATOM 1419 CB SER B 89 10.740 -22.778 5.097 1.00 0.00 C ATOM 1420 OG SER B 89 9.390 -23.203 5.217 1.00 0.00 O ATOM 0 H SER B 89 10.847 -20.359 6.870 1.00 0.00 H new ATOM 0 HA SER B 89 11.273 -23.223 7.129 1.00 0.00 H new ATOM 0 HB2 SER B 89 10.802 -21.940 4.403 1.00 0.00 H new ATOM 0 HB3 SER B 89 11.343 -23.583 4.678 1.00 0.00 H new ATOM 0 HG SER B 89 9.049 -23.461 4.335 1.00 0.00 H new ATOM 1426 N GLY B 90 13.124 -20.879 7.060 1.00 0.00 N ATOM 1427 CA GLY B 90 14.483 -20.368 7.020 1.00 0.00 C ATOM 1428 C GLY B 90 14.849 -19.770 5.675 1.00 0.00 C ATOM 1429 O GLY B 90 16.007 -19.818 5.264 1.00 0.00 O ATOM 0 H GLY B 90 12.500 -20.378 7.692 1.00 0.00 H new ATOM 0 HA2 GLY B 90 14.604 -19.610 7.794 1.00 0.00 H new ATOM 0 HA3 GLY B 90 15.177 -21.176 7.254 1.00 0.00 H new ATOM 1433 N LYS B 91 13.868 -19.205 4.989 1.00 0.00 N ATOM 1434 CA LYS B 91 14.099 -18.600 3.684 1.00 0.00 C ATOM 1435 C LYS B 91 13.604 -17.173 3.670 1.00 0.00 C ATOM 1436 O LYS B 91 13.115 -16.687 2.646 1.00 0.00 O ATOM 1437 CB LYS B 91 13.400 -19.395 2.583 1.00 0.00 C ATOM 1438 CG LYS B 91 13.805 -20.856 2.522 1.00 0.00 C ATOM 1439 CD LYS B 91 13.171 -21.561 1.335 1.00 0.00 C ATOM 1440 CE LYS B 91 11.651 -21.528 1.397 1.00 0.00 C ATOM 1441 NZ LYS B 91 11.040 -22.226 0.238 1.00 0.00 N1+ ATOM 0 H LYS B 91 12.902 -19.152 5.314 1.00 0.00 H new ATOM 0 HA LYS B 91 15.173 -18.610 3.496 1.00 0.00 H new ATOM 0 HB2 LYS B 91 12.322 -19.334 2.734 1.00 0.00 H new ATOM 0 HB3 LYS B 91 13.614 -18.929 1.621 1.00 0.00 H new ATOM 0 HG2 LYS B 91 14.890 -20.931 2.454 1.00 0.00 H new ATOM 0 HG3 LYS B 91 13.508 -21.356 3.444 1.00 0.00 H new ATOM 0 HD2 LYS B 91 13.506 -21.089 0.412 1.00 0.00 H new ATOM 0 HD3 LYS B 91 13.510 -22.596 1.305 1.00 0.00 H new ATOM 0 HE2 LYS B 91 11.314 -21.995 2.322 1.00 0.00 H new ATOM 0 HE3 LYS B 91 11.310 -20.493 1.420 1.00 0.00 H new ATOM 0 HZ1 LYS B 91 10.004 -22.183 0.314 1.00 0.00 H new ATOM 0 HZ2 LYS B 91 11.342 -21.764 -0.644 1.00 0.00 H new ATOM 0 HZ3 LYS B 91 11.346 -23.220 0.231 1.00 0.00 H new ATOM 1455 N MET B 92 13.727 -16.520 4.820 1.00 0.00 N ATOM 1456 CA MET B 92 13.380 -15.116 4.988 1.00 0.00 C ATOM 1457 C MET B 92 11.868 -14.871 4.930 1.00 0.00 C ATOM 1458 O MET B 92 11.337 -14.087 5.715 1.00 0.00 O ATOM 1459 CB MET B 92 14.105 -14.295 3.938 1.00 0.00 C ATOM 1460 CG MET B 92 14.273 -12.846 4.315 1.00 0.00 C ATOM 1461 SD MET B 92 15.185 -11.917 3.073 1.00 0.00 S ATOM 1462 CE MET B 92 16.682 -12.894 2.990 1.00 0.00 C ATOM 0 H MET B 92 14.075 -16.958 5.673 1.00 0.00 H new ATOM 0 HA MET B 92 13.698 -14.806 5.983 1.00 0.00 H new ATOM 0 HB2 MET B 92 15.088 -14.732 3.762 1.00 0.00 H new ATOM 0 HB3 MET B 92 13.556 -14.356 2.998 1.00 0.00 H new ATOM 0 HG2 MET B 92 13.291 -12.394 4.455 1.00 0.00 H new ATOM 0 HG3 MET B 92 14.794 -12.780 5.270 1.00 0.00 H new ATOM 0 HE1 MET B 92 17.519 -12.254 2.709 1.00 0.00 H new ATOM 0 HE2 MET B 92 16.879 -13.342 3.964 1.00 0.00 H new ATOM 0 HE3 MET B 92 16.562 -13.682 2.246 1.00 0.00 H new ATOM 1472 N ASN B 93 11.200 -15.532 3.984 1.00 0.00 N ATOM 1473 CA ASN B 93 9.740 -15.489 3.833 1.00 0.00 C ATOM 1474 C ASN B 93 9.265 -14.146 3.289 1.00 0.00 C ATOM 1475 O ASN B 93 8.719 -14.081 2.191 1.00 0.00 O ATOM 1476 CB ASN B 93 9.034 -15.800 5.157 1.00 0.00 C ATOM 1477 CG ASN B 93 7.517 -15.746 5.051 1.00 0.00 C ATOM 1478 OD1 ASN B 93 6.839 -15.297 5.974 1.00 0.00 O ATOM 1479 ND2 ASN B 93 6.970 -16.231 3.944 1.00 0.00 N ATOM 0 H ASN B 93 11.661 -16.121 3.291 1.00 0.00 H new ATOM 0 HA ASN B 93 9.476 -16.259 3.108 1.00 0.00 H new ATOM 0 HB2 ASN B 93 9.333 -16.791 5.498 1.00 0.00 H new ATOM 0 HB3 ASN B 93 9.365 -15.089 5.914 1.00 0.00 H new ATOM 0 HD21 ASN B 93 5.956 -16.240 3.838 1.00 0.00 H new ATOM 0 HD22 ASN B 93 7.564 -16.595 3.199 1.00 0.00 H new ATOM 1486 N SER B 94 9.501 -13.083 4.047 1.00 0.00 N ATOM 1487 CA SER B 94 9.008 -11.753 3.705 1.00 0.00 C ATOM 1488 C SER B 94 9.524 -11.309 2.336 1.00 0.00 C ATOM 1489 O SER B 94 8.843 -10.582 1.614 1.00 0.00 O ATOM 1490 CB SER B 94 9.419 -10.749 4.788 1.00 0.00 C ATOM 1491 OG SER B 94 8.793 -9.491 4.594 1.00 0.00 O ATOM 0 H SER B 94 10.038 -13.117 4.914 1.00 0.00 H new ATOM 0 HA SER B 94 7.920 -11.792 3.653 1.00 0.00 H new ATOM 0 HB2 SER B 94 9.153 -11.142 5.769 1.00 0.00 H new ATOM 0 HB3 SER B 94 10.502 -10.623 4.777 1.00 0.00 H new ATOM 0 HG SER B 94 7.823 -9.591 4.687 1.00 0.00 H new ATOM 1497 N ASP B 95 10.712 -11.779 1.971 1.00 0.00 N ATOM 1498 CA ASP B 95 11.303 -11.452 0.675 1.00 0.00 C ATOM 1499 C ASP B 95 10.439 -11.991 -0.462 1.00 0.00 C ATOM 1500 O ASP B 95 10.219 -11.318 -1.469 1.00 0.00 O ATOM 1501 CB ASP B 95 12.711 -12.033 0.574 1.00 0.00 C ATOM 1502 CG ASP B 95 13.412 -11.639 -0.710 1.00 0.00 C ATOM 1503 OD1 ASP B 95 14.070 -10.578 -0.728 1.00 0.00 O1- ATOM 1504 OD2 ASP B 95 13.317 -12.387 -1.704 1.00 0.00 O ATOM 0 H ASP B 95 11.286 -12.388 2.554 1.00 0.00 H new ATOM 0 HA ASP B 95 11.357 -10.367 0.589 1.00 0.00 H new ATOM 0 HB2 ASP B 95 13.302 -11.694 1.425 1.00 0.00 H new ATOM 0 HB3 ASP B 95 12.657 -13.120 0.636 1.00 0.00 H new ATOM 1509 N LEU B 96 9.929 -13.204 -0.276 1.00 0.00 N ATOM 1510 CA LEU B 96 9.085 -13.850 -1.272 1.00 0.00 C ATOM 1511 C LEU B 96 7.717 -13.176 -1.295 1.00 0.00 C ATOM 1512 O LEU B 96 7.025 -13.172 -2.312 1.00 0.00 O ATOM 1513 CB LEU B 96 8.970 -15.358 -0.953 1.00 0.00 C ATOM 1514 CG LEU B 96 7.683 -15.827 -0.259 1.00 0.00 C ATOM 1515 CD1 LEU B 96 6.602 -16.161 -1.278 1.00 0.00 C ATOM 1516 CD2 LEU B 96 7.968 -17.033 0.623 1.00 0.00 C ATOM 0 H LEU B 96 10.088 -13.762 0.563 1.00 0.00 H new ATOM 0 HA LEU B 96 9.529 -13.748 -2.262 1.00 0.00 H new ATOM 0 HB2 LEU B 96 9.072 -15.911 -1.887 1.00 0.00 H new ATOM 0 HB3 LEU B 96 9.815 -15.637 -0.324 1.00 0.00 H new ATOM 0 HG LEU B 96 7.319 -15.011 0.366 1.00 0.00 H new ATOM 0 HD11 LEU B 96 5.702 -16.490 -0.759 1.00 0.00 H new ATOM 0 HD12 LEU B 96 6.375 -15.275 -1.871 1.00 0.00 H new ATOM 0 HD13 LEU B 96 6.954 -16.957 -1.934 1.00 0.00 H new ATOM 0 HD21 LEU B 96 7.047 -17.354 1.109 1.00 0.00 H new ATOM 0 HD22 LEU B 96 8.359 -17.846 0.012 1.00 0.00 H new ATOM 0 HD23 LEU B 96 8.703 -16.763 1.382 1.00 0.00 H new ATOM 1528 N GLN B 97 7.352 -12.575 -0.168 1.00 0.00 N ATOM 1529 CA GLN B 97 6.065 -11.913 -0.038 1.00 0.00 C ATOM 1530 C GLN B 97 6.030 -10.643 -0.881 1.00 0.00 C ATOM 1531 O GLN B 97 4.958 -10.191 -1.283 1.00 0.00 O ATOM 1532 CB GLN B 97 5.778 -11.581 1.432 1.00 0.00 C ATOM 1533 CG GLN B 97 5.936 -12.765 2.384 1.00 0.00 C ATOM 1534 CD GLN B 97 4.770 -13.741 2.373 1.00 0.00 C ATOM 1535 OE1 GLN B 97 4.513 -14.424 3.365 1.00 0.00 O ATOM 1536 NE2 GLN B 97 4.038 -13.806 1.275 1.00 0.00 N ATOM 0 H GLN B 97 7.933 -12.534 0.669 1.00 0.00 H new ATOM 0 HA GLN B 97 5.292 -12.592 -0.399 1.00 0.00 H new ATOM 0 HB2 GLN B 97 6.448 -10.782 1.750 1.00 0.00 H new ATOM 0 HB3 GLN B 97 4.761 -11.196 1.514 1.00 0.00 H new ATOM 0 HG2 GLN B 97 6.847 -13.304 2.125 1.00 0.00 H new ATOM 0 HG3 GLN B 97 6.067 -12.386 3.397 1.00 0.00 H new ATOM 0 HE21 GLN B 97 4.275 -13.228 0.469 1.00 0.00 H new ATOM 0 HE22 GLN B 97 3.236 -14.434 1.234 1.00 0.00 H new ATOM 1545 N LYS B 98 7.207 -10.082 -1.153 1.00 0.00 N ATOM 1546 CA LYS B 98 7.315 -8.902 -2.006 1.00 0.00 C ATOM 1547 C LYS B 98 6.715 -9.177 -3.380 1.00 0.00 C ATOM 1548 O LYS B 98 5.942 -8.374 -3.893 1.00 0.00 O ATOM 1549 CB LYS B 98 8.776 -8.450 -2.143 1.00 0.00 C ATOM 1550 CG LYS B 98 9.181 -7.364 -1.156 1.00 0.00 C ATOM 1551 CD LYS B 98 9.087 -7.844 0.282 1.00 0.00 C ATOM 1552 CE LYS B 98 9.163 -6.688 1.264 1.00 0.00 C ATOM 1553 NZ LYS B 98 10.507 -6.052 1.296 1.00 0.00 N1+ ATOM 0 H LYS B 98 8.098 -10.426 -0.795 1.00 0.00 H new ATOM 0 HA LYS B 98 6.753 -8.096 -1.534 1.00 0.00 H new ATOM 0 HB2 LYS B 98 9.427 -9.313 -2.006 1.00 0.00 H new ATOM 0 HB3 LYS B 98 8.940 -8.085 -3.157 1.00 0.00 H new ATOM 0 HG2 LYS B 98 10.202 -7.044 -1.366 1.00 0.00 H new ATOM 0 HG3 LYS B 98 8.540 -6.493 -1.291 1.00 0.00 H new ATOM 0 HD2 LYS B 98 8.151 -8.383 0.426 1.00 0.00 H new ATOM 0 HD3 LYS B 98 9.894 -8.548 0.485 1.00 0.00 H new ATOM 0 HE2 LYS B 98 8.417 -5.939 0.997 1.00 0.00 H new ATOM 0 HE3 LYS B 98 8.911 -7.047 2.262 1.00 0.00 H new ATOM 0 HZ1 LYS B 98 10.510 -5.281 1.994 1.00 0.00 H new ATOM 0 HZ2 LYS B 98 11.220 -6.761 1.561 1.00 0.00 H new ATOM 0 HZ3 LYS B 98 10.732 -5.669 0.356 1.00 0.00 H new ATOM 1567 N GLU B 99 7.057 -10.330 -3.949 1.00 0.00 N ATOM 1568 CA GLU B 99 6.523 -10.746 -5.244 1.00 0.00 C ATOM 1569 C GLU B 99 5.005 -10.706 -5.233 1.00 0.00 C ATOM 1570 O GLU B 99 4.382 -9.982 -6.010 1.00 0.00 O ATOM 1571 CB GLU B 99 6.984 -12.171 -5.563 1.00 0.00 C ATOM 1572 CG GLU B 99 6.475 -12.728 -6.885 1.00 0.00 C ATOM 1573 CD GLU B 99 6.838 -11.875 -8.084 1.00 0.00 C ATOM 1574 OE1 GLU B 99 7.986 -11.960 -8.557 1.00 0.00 O ATOM 1575 OE2 GLU B 99 5.958 -11.146 -8.586 1.00 0.00 O1- ATOM 0 H GLU B 99 7.706 -10.997 -3.531 1.00 0.00 H new ATOM 0 HA GLU B 99 6.893 -10.058 -6.005 1.00 0.00 H new ATOM 0 HB2 GLU B 99 8.074 -12.191 -5.572 1.00 0.00 H new ATOM 0 HB3 GLU B 99 6.660 -12.831 -4.758 1.00 0.00 H new ATOM 0 HG2 GLU B 99 6.880 -13.730 -7.027 1.00 0.00 H new ATOM 0 HG3 GLU B 99 5.391 -12.826 -6.835 1.00 0.00 H new ATOM 1582 N LEU B 100 4.416 -11.475 -4.327 1.00 0.00 N ATOM 1583 CA LEU B 100 2.970 -11.618 -4.268 1.00 0.00 C ATOM 1584 C LEU B 100 2.298 -10.279 -3.989 1.00 0.00 C ATOM 1585 O LEU B 100 1.198 -10.015 -4.474 1.00 0.00 O ATOM 1586 CB LEU B 100 2.556 -12.649 -3.209 1.00 0.00 C ATOM 1587 CG LEU B 100 2.785 -14.123 -3.574 1.00 0.00 C ATOM 1588 CD1 LEU B 100 2.084 -14.473 -4.877 1.00 0.00 C ATOM 1589 CD2 LEU B 100 4.269 -14.446 -3.660 1.00 0.00 C ATOM 0 H LEU B 100 4.921 -12.011 -3.621 1.00 0.00 H new ATOM 0 HA LEU B 100 2.638 -11.975 -5.243 1.00 0.00 H new ATOM 0 HB2 LEU B 100 3.102 -12.435 -2.290 1.00 0.00 H new ATOM 0 HB3 LEU B 100 1.497 -12.510 -2.991 1.00 0.00 H new ATOM 0 HG LEU B 100 2.355 -14.732 -2.779 1.00 0.00 H new ATOM 0 HD11 LEU B 100 2.261 -15.522 -5.115 1.00 0.00 H new ATOM 0 HD12 LEU B 100 1.013 -14.300 -4.772 1.00 0.00 H new ATOM 0 HD13 LEU B 100 2.475 -13.848 -5.680 1.00 0.00 H new ATOM 0 HD21 LEU B 100 4.398 -15.497 -3.920 1.00 0.00 H new ATOM 0 HD22 LEU B 100 4.733 -13.823 -4.425 1.00 0.00 H new ATOM 0 HD23 LEU B 100 4.740 -14.250 -2.697 1.00 0.00 H new ATOM 1601 N ALA B 101 2.969 -9.433 -3.218 1.00 0.00 N ATOM 1602 CA ALA B 101 2.460 -8.103 -2.924 1.00 0.00 C ATOM 1603 C ALA B 101 2.396 -7.259 -4.195 1.00 0.00 C ATOM 1604 O ALA B 101 1.379 -6.625 -4.476 1.00 0.00 O ATOM 1605 CB ALA B 101 3.321 -7.427 -1.867 1.00 0.00 C ATOM 0 H ALA B 101 3.868 -9.646 -2.785 1.00 0.00 H new ATOM 0 HA ALA B 101 1.448 -8.198 -2.530 1.00 0.00 H new ATOM 0 HB1 ALA B 101 2.927 -6.432 -1.658 1.00 0.00 H new ATOM 0 HB2 ALA B 101 3.309 -8.021 -0.953 1.00 0.00 H new ATOM 0 HB3 ALA B 101 4.345 -7.342 -2.231 1.00 0.00 H new ATOM 1611 N VAL B 102 3.475 -7.282 -4.979 1.00 0.00 N ATOM 1612 CA VAL B 102 3.526 -6.541 -6.239 1.00 0.00 C ATOM 1613 C VAL B 102 2.452 -7.048 -7.198 1.00 0.00 C ATOM 1614 O VAL B 102 1.867 -6.275 -7.957 1.00 0.00 O ATOM 1615 CB VAL B 102 4.910 -6.651 -6.921 1.00 0.00 C ATOM 1616 CG1 VAL B 102 4.950 -5.838 -8.207 1.00 0.00 C ATOM 1617 CG2 VAL B 102 6.014 -6.203 -5.980 1.00 0.00 C ATOM 0 H VAL B 102 4.324 -7.805 -4.764 1.00 0.00 H new ATOM 0 HA VAL B 102 3.346 -5.493 -6.000 1.00 0.00 H new ATOM 0 HB VAL B 102 5.074 -7.699 -7.172 1.00 0.00 H new ATOM 0 HG11 VAL B 102 5.934 -5.932 -8.667 1.00 0.00 H new ATOM 0 HG12 VAL B 102 4.191 -6.209 -8.896 1.00 0.00 H new ATOM 0 HG13 VAL B 102 4.754 -4.790 -7.981 1.00 0.00 H new ATOM 0 HG21 VAL B 102 6.978 -6.290 -6.482 1.00 0.00 H new ATOM 0 HG22 VAL B 102 5.847 -5.165 -5.691 1.00 0.00 H new ATOM 0 HG23 VAL B 102 6.011 -6.832 -5.090 1.00 0.00 H new ATOM 1627 N ASN B 103 2.181 -8.348 -7.133 1.00 0.00 N ATOM 1628 CA ASN B 103 1.143 -8.969 -7.953 1.00 0.00 C ATOM 1629 C ASN B 103 -0.218 -8.319 -7.705 1.00 0.00 C ATOM 1630 O ASN B 103 -1.088 -8.323 -8.576 1.00 0.00 O ATOM 1631 CB ASN B 103 1.057 -10.474 -7.670 1.00 0.00 C ATOM 1632 CG ASN B 103 2.072 -11.296 -8.447 1.00 0.00 C ATOM 1633 OD1 ASN B 103 1.809 -11.731 -9.569 1.00 0.00 O ATOM 1634 ND2 ASN B 103 3.230 -11.528 -7.857 1.00 0.00 N ATOM 0 H ASN B 103 2.669 -8.997 -6.516 1.00 0.00 H new ATOM 0 HA ASN B 103 1.415 -8.818 -8.998 1.00 0.00 H new ATOM 0 HB2 ASN B 103 1.204 -10.644 -6.603 1.00 0.00 H new ATOM 0 HB3 ASN B 103 0.054 -10.825 -7.914 1.00 0.00 H new ATOM 0 HD21 ASN B 103 3.942 -12.084 -8.331 1.00 0.00 H new ATOM 0 HD22 ASN B 103 3.413 -11.151 -6.927 1.00 0.00 H new ATOM 1641 N TYR B 104 -0.401 -7.749 -6.520 1.00 0.00 N ATOM 1642 CA TYR B 104 -1.645 -7.078 -6.185 1.00 0.00 C ATOM 1643 C TYR B 104 -1.632 -5.646 -6.698 1.00 0.00 C ATOM 1644 O TYR B 104 -2.636 -5.157 -7.214 1.00 0.00 O ATOM 1645 CB TYR B 104 -1.886 -7.106 -4.677 1.00 0.00 C ATOM 1646 CG TYR B 104 -2.579 -8.360 -4.193 1.00 0.00 C ATOM 1647 CD1 TYR B 104 -2.195 -9.616 -4.644 1.00 0.00 C ATOM 1648 CD2 TYR B 104 -3.624 -8.283 -3.281 1.00 0.00 C ATOM 1649 CE1 TYR B 104 -2.834 -10.759 -4.204 1.00 0.00 C ATOM 1650 CE2 TYR B 104 -4.266 -9.422 -2.835 1.00 0.00 C ATOM 1651 CZ TYR B 104 -3.868 -10.656 -3.299 1.00 0.00 C ATOM 1652 OH TYR B 104 -4.512 -11.790 -2.858 1.00 0.00 O ATOM 0 H TYR B 104 0.298 -7.740 -5.777 1.00 0.00 H new ATOM 0 HA TYR B 104 -2.463 -7.611 -6.670 1.00 0.00 H new ATOM 0 HB2 TYR B 104 -0.929 -7.010 -4.164 1.00 0.00 H new ATOM 0 HB3 TYR B 104 -2.486 -6.240 -4.398 1.00 0.00 H new ATOM 0 HD1 TYR B 104 -1.383 -9.701 -5.351 1.00 0.00 H new ATOM 0 HD2 TYR B 104 -3.940 -7.317 -2.915 1.00 0.00 H new ATOM 0 HE1 TYR B 104 -2.525 -11.728 -4.567 1.00 0.00 H new ATOM 0 HE2 TYR B 104 -5.077 -9.345 -2.125 1.00 0.00 H new ATOM 0 HH TYR B 104 -5.215 -11.541 -2.223 1.00 0.00 H new ATOM 1662 N LEU B 105 -0.489 -4.982 -6.577 1.00 0.00 N ATOM 1663 CA LEU B 105 -0.343 -3.625 -7.092 1.00 0.00 C ATOM 1664 C LEU B 105 -0.455 -3.619 -8.610 1.00 0.00 C ATOM 1665 O LEU B 105 -0.953 -2.664 -9.196 1.00 0.00 O ATOM 1666 CB LEU B 105 0.990 -2.992 -6.667 1.00 0.00 C ATOM 1667 CG LEU B 105 1.057 -2.460 -5.229 1.00 0.00 C ATOM 1668 CD1 LEU B 105 -0.079 -1.487 -4.961 1.00 0.00 C ATOM 1669 CD2 LEU B 105 1.028 -3.595 -4.222 1.00 0.00 C ATOM 0 H LEU B 105 0.347 -5.358 -6.129 1.00 0.00 H new ATOM 0 HA LEU B 105 -1.149 -3.028 -6.665 1.00 0.00 H new ATOM 0 HB2 LEU B 105 1.778 -3.734 -6.795 1.00 0.00 H new ATOM 0 HB3 LEU B 105 1.212 -2.170 -7.348 1.00 0.00 H new ATOM 0 HG LEU B 105 2.003 -1.930 -5.116 1.00 0.00 H new ATOM 0 HD11 LEU B 105 -0.012 -1.123 -3.936 1.00 0.00 H new ATOM 0 HD12 LEU B 105 -0.008 -0.646 -5.651 1.00 0.00 H new ATOM 0 HD13 LEU B 105 -1.033 -1.994 -5.104 1.00 0.00 H new ATOM 0 HD21 LEU B 105 1.077 -3.187 -3.212 1.00 0.00 H new ATOM 0 HD22 LEU B 105 0.105 -4.162 -4.340 1.00 0.00 H new ATOM 0 HD23 LEU B 105 1.882 -4.252 -4.389 1.00 0.00 H new ATOM 1681 N ASN B 106 -0.014 -4.706 -9.237 1.00 0.00 N ATOM 1682 CA ASN B 106 -0.110 -4.853 -10.689 1.00 0.00 C ATOM 1683 C ASN B 106 -1.556 -4.761 -11.157 1.00 0.00 C ATOM 1684 O ASN B 106 -1.833 -4.268 -12.249 1.00 0.00 O ATOM 1685 CB ASN B 106 0.486 -6.187 -11.145 1.00 0.00 C ATOM 1686 CG ASN B 106 1.985 -6.128 -11.387 1.00 0.00 C ATOM 1687 OD1 ASN B 106 2.514 -6.863 -12.222 1.00 0.00 O ATOM 1688 ND2 ASN B 106 2.682 -5.266 -10.665 1.00 0.00 N ATOM 0 H ASN B 106 0.415 -5.501 -8.762 1.00 0.00 H new ATOM 0 HA ASN B 106 0.458 -4.036 -11.134 1.00 0.00 H new ATOM 0 HB2 ASN B 106 0.277 -6.946 -10.391 1.00 0.00 H new ATOM 0 HB3 ASN B 106 -0.010 -6.503 -12.062 1.00 0.00 H new ATOM 0 HD21 ASN B 106 3.692 -5.194 -10.791 1.00 0.00 H new ATOM 0 HD22 ASN B 106 2.210 -4.673 -9.983 1.00 0.00 H new ATOM 1695 N THR B 107 -2.480 -5.227 -10.327 1.00 0.00 N ATOM 1696 CA THR B 107 -3.892 -5.194 -10.679 1.00 0.00 C ATOM 1697 C THR B 107 -4.514 -3.851 -10.303 1.00 0.00 C ATOM 1698 O THR B 107 -5.698 -3.613 -10.553 1.00 0.00 O ATOM 1699 CB THR B 107 -4.678 -6.338 -9.999 1.00 0.00 C ATOM 1700 OG1 THR B 107 -4.643 -6.201 -8.571 1.00 0.00 O ATOM 1701 CG2 THR B 107 -4.103 -7.693 -10.386 1.00 0.00 C ATOM 0 H THR B 107 -2.279 -5.630 -9.412 1.00 0.00 H new ATOM 0 HA THR B 107 -3.955 -5.330 -11.759 1.00 0.00 H new ATOM 0 HB THR B 107 -5.711 -6.276 -10.340 1.00 0.00 H new ATOM 0 HG1 THR B 107 -3.979 -5.524 -8.323 1.00 0.00 H new ATOM 0 HG21 THR B 107 -4.672 -8.483 -9.896 1.00 0.00 H new ATOM 0 HG22 THR B 107 -4.164 -7.819 -11.467 1.00 0.00 H new ATOM 0 HG23 THR B 107 -3.060 -7.749 -10.073 1.00 0.00 H new ATOM 1709 N LEU B 108 -3.708 -2.976 -9.708 1.00 0.00 N ATOM 1710 CA LEU B 108 -4.192 -1.682 -9.254 1.00 0.00 C ATOM 1711 C LEU B 108 -3.562 -0.540 -10.048 1.00 0.00 C ATOM 1712 O LEU B 108 -3.848 0.632 -9.798 1.00 0.00 O ATOM 1713 CB LEU B 108 -3.909 -1.501 -7.763 1.00 0.00 C ATOM 1714 CG LEU B 108 -4.519 -2.562 -6.847 1.00 0.00 C ATOM 1715 CD1 LEU B 108 -4.077 -2.347 -5.408 1.00 0.00 C ATOM 1716 CD2 LEU B 108 -6.040 -2.547 -6.944 1.00 0.00 C ATOM 0 H LEU B 108 -2.717 -3.142 -9.530 1.00 0.00 H new ATOM 0 HA LEU B 108 -5.269 -1.655 -9.420 1.00 0.00 H new ATOM 0 HB2 LEU B 108 -2.829 -1.493 -7.614 1.00 0.00 H new ATOM 0 HB3 LEU B 108 -4.280 -0.523 -7.456 1.00 0.00 H new ATOM 0 HG LEU B 108 -4.163 -3.539 -7.175 1.00 0.00 H new ATOM 0 HD11 LEU B 108 -4.522 -3.113 -4.772 1.00 0.00 H new ATOM 0 HD12 LEU B 108 -2.991 -2.412 -5.348 1.00 0.00 H new ATOM 0 HD13 LEU B 108 -4.401 -1.362 -5.071 1.00 0.00 H new ATOM 0 HD21 LEU B 108 -6.454 -3.310 -6.284 1.00 0.00 H new ATOM 0 HD22 LEU B 108 -6.414 -1.567 -6.646 1.00 0.00 H new ATOM 0 HD23 LEU B 108 -6.341 -2.753 -7.971 1.00 0.00 H new ATOM 1728 N ARG B 109 -2.708 -0.885 -11.002 1.00 0.00 N ATOM 1729 CA ARG B 109 -2.098 0.110 -11.878 1.00 0.00 C ATOM 1730 C ARG B 109 -2.964 0.281 -13.121 1.00 0.00 C ATOM 1731 O ARG B 109 -3.810 -0.571 -13.400 1.00 0.00 O ATOM 1732 CB ARG B 109 -0.683 -0.321 -12.281 1.00 0.00 C ATOM 1733 CG ARG B 109 0.230 -0.645 -11.106 1.00 0.00 C ATOM 1734 CD ARG B 109 0.631 0.595 -10.316 1.00 0.00 C ATOM 1735 NE ARG B 109 1.515 1.474 -11.082 1.00 0.00 N ATOM 1736 CZ ARG B 109 2.805 1.683 -10.795 1.00 0.00 C ATOM 1737 NH1 ARG B 109 3.386 1.056 -9.776 1.00 0.00 N1+ ATOM 1738 NH2 ARG B 109 3.515 2.515 -11.543 1.00 0.00 N ATOM 0 H ARG B 109 -2.421 -1.846 -11.190 1.00 0.00 H new ATOM 0 HA ARG B 109 -2.028 1.058 -11.345 1.00 0.00 H new ATOM 0 HB2 ARG B 109 -0.752 -1.198 -12.925 1.00 0.00 H new ATOM 0 HB3 ARG B 109 -0.228 0.474 -12.872 1.00 0.00 H new ATOM 0 HG2 ARG B 109 -0.274 -1.347 -10.442 1.00 0.00 H new ATOM 0 HG3 ARG B 109 1.127 -1.143 -11.474 1.00 0.00 H new ATOM 0 HD2 ARG B 109 -0.264 1.145 -10.027 1.00 0.00 H new ATOM 0 HD3 ARG B 109 1.130 0.292 -9.396 1.00 0.00 H new ATOM 0 HE ARG B 109 1.122 1.960 -11.888 1.00 0.00 H new ATOM 0 HH11 ARG B 109 2.847 0.407 -9.203 1.00 0.00 H new ATOM 0 HH12 ARG B 109 4.370 1.224 -9.568 1.00 0.00 H new ATOM 0 HH21 ARG B 109 3.078 2.991 -12.332 1.00 0.00 H new ATOM 0 HH22 ARG B 109 4.499 2.679 -11.330 1.00 0.00 H new ATOM 1752 N TYR B 110 -2.760 1.377 -13.854 1.00 0.00 N ATOM 1753 CA TYR B 110 -3.520 1.644 -15.077 1.00 0.00 C ATOM 1754 C TYR B 110 -3.518 0.424 -15.992 1.00 0.00 C ATOM 1755 O TYR B 110 -2.458 -0.081 -16.372 1.00 0.00 O ATOM 1756 CB TYR B 110 -2.935 2.853 -15.814 1.00 0.00 C ATOM 1757 CG TYR B 110 -3.741 3.293 -17.016 1.00 0.00 C ATOM 1758 CD1 TYR B 110 -4.844 4.122 -16.868 1.00 0.00 C ATOM 1759 CD2 TYR B 110 -3.395 2.886 -18.298 1.00 0.00 C ATOM 1760 CE1 TYR B 110 -5.582 4.530 -17.960 1.00 0.00 C ATOM 1761 CE2 TYR B 110 -4.129 3.291 -19.396 1.00 0.00 C ATOM 1762 CZ TYR B 110 -5.221 4.112 -19.223 1.00 0.00 C ATOM 1763 OH TYR B 110 -5.957 4.514 -20.317 1.00 0.00 O ATOM 0 H TYR B 110 -2.074 2.095 -13.622 1.00 0.00 H new ATOM 0 HA TYR B 110 -4.550 1.865 -14.796 1.00 0.00 H new ATOM 0 HB2 TYR B 110 -2.857 3.687 -15.117 1.00 0.00 H new ATOM 0 HB3 TYR B 110 -1.922 2.613 -16.137 1.00 0.00 H new ATOM 0 HD1 TYR B 110 -5.130 4.454 -15.881 1.00 0.00 H new ATOM 0 HD2 TYR B 110 -2.539 2.243 -18.439 1.00 0.00 H new ATOM 0 HE1 TYR B 110 -6.439 5.174 -17.826 1.00 0.00 H new ATOM 0 HE2 TYR B 110 -3.847 2.965 -20.386 1.00 0.00 H new ATOM 0 HH TYR B 110 -5.568 4.132 -21.131 1.00 0.00 H new ATOM 1773 N GLY B 111 -4.707 -0.049 -16.332 1.00 0.00 N ATOM 1774 CA GLY B 111 -4.824 -1.241 -17.141 1.00 0.00 C ATOM 1775 C GLY B 111 -4.900 -2.490 -16.289 1.00 0.00 C ATOM 1776 O GLY B 111 -4.082 -3.400 -16.432 1.00 0.00 O ATOM 0 H GLY B 111 -5.595 0.374 -16.061 1.00 0.00 H new ATOM 0 HA2 GLY B 111 -5.715 -1.171 -17.765 1.00 0.00 H new ATOM 0 HA3 GLY B 111 -3.969 -1.310 -17.813 1.00 0.00 H new ATOM 1780 N GLY B 112 -5.882 -2.535 -15.400 1.00 0.00 N ATOM 1781 CA GLY B 112 -6.037 -3.670 -14.525 1.00 0.00 C ATOM 1782 C GLY B 112 -7.488 -4.054 -14.366 1.00 0.00 C ATOM 1783 O GLY B 112 -8.351 -3.555 -15.087 1.00 0.00 O ATOM 0 H GLY B 112 -6.576 -1.799 -15.272 1.00 0.00 H new ATOM 0 HA2 GLY B 112 -5.477 -4.516 -14.923 1.00 0.00 H new ATOM 0 HA3 GLY B 112 -5.612 -3.438 -13.548 1.00 0.00 H new ATOM 1787 N ILE B 113 -7.757 -4.928 -13.415 1.00 0.00 N ATOM 1788 CA ILE B 113 -9.105 -5.441 -13.207 1.00 0.00 C ATOM 1789 C ILE B 113 -9.896 -4.592 -12.217 1.00 0.00 C ATOM 1790 O ILE B 113 -11.065 -4.292 -12.447 1.00 0.00 O ATOM 1791 CB ILE B 113 -9.087 -6.910 -12.728 1.00 0.00 C ATOM 1792 CG1 ILE B 113 -8.180 -7.082 -11.502 1.00 0.00 C ATOM 1793 CG2 ILE B 113 -8.635 -7.814 -13.861 1.00 0.00 C ATOM 1794 CD1 ILE B 113 -8.153 -8.493 -10.953 1.00 0.00 C ATOM 0 H ILE B 113 -7.060 -5.301 -12.770 1.00 0.00 H new ATOM 0 HA ILE B 113 -9.601 -5.391 -14.176 1.00 0.00 H new ATOM 0 HB ILE B 113 -10.098 -7.190 -12.431 1.00 0.00 H new ATOM 0 HG12 ILE B 113 -7.165 -6.787 -11.769 1.00 0.00 H new ATOM 0 HG13 ILE B 113 -8.514 -6.403 -10.717 1.00 0.00 H new ATOM 0 HG21 ILE B 113 -8.624 -8.849 -13.519 1.00 0.00 H new ATOM 0 HG22 ILE B 113 -9.323 -7.717 -14.701 1.00 0.00 H new ATOM 0 HG23 ILE B 113 -7.633 -7.526 -14.178 1.00 0.00 H new ATOM 0 HD11 ILE B 113 -7.491 -8.534 -10.088 1.00 0.00 H new ATOM 0 HD12 ILE B 113 -9.159 -8.786 -10.654 1.00 0.00 H new ATOM 0 HD13 ILE B 113 -7.790 -9.175 -11.721 1.00 0.00 H new ATOM 1806 N HIS B 114 -9.269 -4.213 -11.114 1.00 0.00 N ATOM 1807 CA HIS B 114 -9.939 -3.409 -10.095 1.00 0.00 C ATOM 1808 C HIS B 114 -9.074 -2.217 -9.725 1.00 0.00 C ATOM 1809 O HIS B 114 -8.994 -1.834 -8.560 1.00 0.00 O ATOM 1810 CB HIS B 114 -10.219 -4.242 -8.837 1.00 0.00 C ATOM 1811 CG HIS B 114 -10.948 -5.525 -9.095 1.00 0.00 C ATOM 1812 ND1 HIS B 114 -10.474 -6.752 -8.682 1.00 0.00 N ATOM 1813 CD2 HIS B 114 -12.121 -5.770 -9.725 1.00 0.00 C ATOM 1814 CE1 HIS B 114 -11.324 -7.692 -9.048 1.00 0.00 C ATOM 1815 NE2 HIS B 114 -12.331 -7.123 -9.678 1.00 0.00 N ATOM 0 H HIS B 114 -8.300 -4.447 -10.899 1.00 0.00 H new ATOM 0 HA HIS B 114 -10.888 -3.063 -10.505 1.00 0.00 H new ATOM 0 HB2 HIS B 114 -9.272 -4.468 -8.347 1.00 0.00 H new ATOM 0 HB3 HIS B 114 -10.802 -3.640 -8.140 1.00 0.00 H new ATOM 0 HD2 HIS B 114 -12.770 -5.036 -10.180 1.00 0.00 H new ATOM 0 HE1 HIS B 114 -11.213 -8.750 -8.862 1.00 0.00 H new ATOM 0 HE2 HIS B 114 -13.137 -7.611 -10.068 1.00 0.00 H new ATOM 1824 N TYR B 115 -8.428 -1.633 -10.722 1.00 0.00 N ATOM 1825 CA TYR B 115 -7.466 -0.577 -10.471 1.00 0.00 C ATOM 1826 C TYR B 115 -8.166 0.733 -10.138 1.00 0.00 C ATOM 1827 O TYR B 115 -9.172 1.101 -10.754 1.00 0.00 O ATOM 1828 CB TYR B 115 -6.507 -0.420 -11.664 1.00 0.00 C ATOM 1829 CG TYR B 115 -6.758 0.782 -12.550 1.00 0.00 C ATOM 1830 CD1 TYR B 115 -6.161 2.008 -12.277 1.00 0.00 C ATOM 1831 CD2 TYR B 115 -7.579 0.687 -13.664 1.00 0.00 C ATOM 1832 CE1 TYR B 115 -6.379 3.104 -13.087 1.00 0.00 C ATOM 1833 CE2 TYR B 115 -7.799 1.779 -14.481 1.00 0.00 C ATOM 1834 CZ TYR B 115 -7.199 2.983 -14.188 1.00 0.00 C ATOM 1835 OH TYR B 115 -7.420 4.072 -14.998 1.00 0.00 O ATOM 0 H TYR B 115 -8.553 -1.872 -11.706 1.00 0.00 H new ATOM 0 HA TYR B 115 -6.871 -0.856 -9.602 1.00 0.00 H new ATOM 0 HB2 TYR B 115 -5.488 -0.362 -11.283 1.00 0.00 H new ATOM 0 HB3 TYR B 115 -6.567 -1.320 -12.277 1.00 0.00 H new ATOM 0 HD1 TYR B 115 -5.516 2.104 -11.416 1.00 0.00 H new ATOM 0 HD2 TYR B 115 -8.053 -0.255 -13.896 1.00 0.00 H new ATOM 0 HE1 TYR B 115 -5.910 4.050 -12.860 1.00 0.00 H new ATOM 0 HE2 TYR B 115 -8.439 1.689 -15.346 1.00 0.00 H new ATOM 0 HH TYR B 115 -6.877 3.991 -15.810 1.00 0.00 H new ATOM 1845 N ASN B 116 -7.633 1.418 -9.142 1.00 0.00 N ATOM 1846 CA ASN B 116 -8.165 2.701 -8.717 1.00 0.00 C ATOM 1847 C ASN B 116 -7.130 3.774 -8.984 1.00 0.00 C ATOM 1848 O ASN B 116 -5.932 3.546 -8.809 1.00 0.00 O ATOM 1849 CB ASN B 116 -8.494 2.693 -7.222 1.00 0.00 C ATOM 1850 CG ASN B 116 -9.382 1.544 -6.791 1.00 0.00 C ATOM 1851 OD1 ASN B 116 -9.290 1.082 -5.659 1.00 0.00 O ATOM 1852 ND2 ASN B 116 -10.250 1.077 -7.672 1.00 0.00 N ATOM 0 H ASN B 116 -6.824 1.103 -8.607 1.00 0.00 H new ATOM 0 HA ASN B 116 -9.081 2.899 -9.274 1.00 0.00 H new ATOM 0 HB2 ASN B 116 -7.563 2.651 -6.656 1.00 0.00 H new ATOM 0 HB3 ASN B 116 -8.982 3.633 -6.963 1.00 0.00 H new ATOM 0 HD21 ASN B 116 -10.870 0.308 -7.418 1.00 0.00 H new ATOM 0 HD22 ASN B 116 -10.299 1.486 -8.605 1.00 0.00 H new ATOM 1859 N GLU B 117 -7.595 4.945 -9.395 1.00 0.00 N ATOM 1860 CA GLU B 117 -6.702 6.051 -9.698 1.00 0.00 C ATOM 1861 C GLU B 117 -5.985 6.525 -8.443 1.00 0.00 C ATOM 1862 O GLU B 117 -4.870 7.029 -8.516 1.00 0.00 O ATOM 1863 CB GLU B 117 -7.467 7.208 -10.344 1.00 0.00 C ATOM 1864 CG GLU B 117 -8.572 7.784 -9.474 1.00 0.00 C ATOM 1865 CD GLU B 117 -9.293 8.927 -10.151 1.00 0.00 C ATOM 1866 OE1 GLU B 117 -10.251 8.664 -10.908 1.00 0.00 O ATOM 1867 OE2 GLU B 117 -8.905 10.094 -9.936 1.00 0.00 O1- ATOM 0 H GLU B 117 -8.585 5.152 -9.526 1.00 0.00 H new ATOM 0 HA GLU B 117 -5.955 5.695 -10.408 1.00 0.00 H new ATOM 0 HB2 GLU B 117 -6.762 8.002 -10.591 1.00 0.00 H new ATOM 0 HB3 GLU B 117 -7.901 6.863 -11.283 1.00 0.00 H new ATOM 0 HG2 GLU B 117 -9.287 6.998 -9.231 1.00 0.00 H new ATOM 0 HG3 GLU B 117 -8.147 8.131 -8.532 1.00 0.00 H new ATOM 1874 N ALA B 118 -6.618 6.338 -7.289 1.00 0.00 N ATOM 1875 CA ALA B 118 -6.018 6.741 -6.029 1.00 0.00 C ATOM 1876 C ALA B 118 -4.860 5.824 -5.665 1.00 0.00 C ATOM 1877 O ALA B 118 -3.928 6.234 -4.979 1.00 0.00 O ATOM 1878 CB ALA B 118 -7.054 6.758 -4.919 1.00 0.00 C ATOM 0 H ALA B 118 -7.541 5.912 -7.204 1.00 0.00 H new ATOM 0 HA ALA B 118 -5.629 7.752 -6.149 1.00 0.00 H new ATOM 0 HB1 ALA B 118 -6.582 7.063 -3.985 1.00 0.00 H new ATOM 0 HB2 ALA B 118 -7.846 7.463 -5.172 1.00 0.00 H new ATOM 0 HB3 ALA B 118 -7.479 5.761 -4.802 1.00 0.00 H new ATOM 1884 N ILE B 119 -4.915 4.581 -6.136 1.00 0.00 N ATOM 1885 CA ILE B 119 -3.834 3.635 -5.894 1.00 0.00 C ATOM 1886 C ILE B 119 -2.652 3.960 -6.795 1.00 0.00 C ATOM 1887 O ILE B 119 -1.495 3.886 -6.377 1.00 0.00 O ATOM 1888 CB ILE B 119 -4.264 2.172 -6.142 1.00 0.00 C ATOM 1889 CG1 ILE B 119 -5.446 1.790 -5.244 1.00 0.00 C ATOM 1890 CG2 ILE B 119 -3.086 1.233 -5.900 1.00 0.00 C ATOM 1891 CD1 ILE B 119 -5.090 1.677 -3.780 1.00 0.00 C ATOM 0 H ILE B 119 -5.691 4.209 -6.683 1.00 0.00 H new ATOM 0 HA ILE B 119 -3.556 3.731 -4.844 1.00 0.00 H new ATOM 0 HB ILE B 119 -4.584 2.078 -7.180 1.00 0.00 H new ATOM 0 HG12 ILE B 119 -6.234 2.535 -5.360 1.00 0.00 H new ATOM 0 HG13 ILE B 119 -5.855 0.838 -5.583 1.00 0.00 H new ATOM 0 HG21 ILE B 119 -3.399 0.204 -6.077 1.00 0.00 H new ATOM 0 HG22 ILE B 119 -2.272 1.487 -6.579 1.00 0.00 H new ATOM 0 HG23 ILE B 119 -2.744 1.336 -4.870 1.00 0.00 H new ATOM 0 HD11 ILE B 119 -5.978 1.404 -3.210 1.00 0.00 H new ATOM 0 HD12 ILE B 119 -4.325 0.911 -3.650 1.00 0.00 H new ATOM 0 HD13 ILE B 119 -4.710 2.634 -3.423 1.00 0.00 H new ATOM 1903 N GLU B 120 -2.948 4.325 -8.034 1.00 0.00 N ATOM 1904 CA GLU B 120 -1.908 4.714 -8.968 1.00 0.00 C ATOM 1905 C GLU B 120 -1.273 6.026 -8.523 1.00 0.00 C ATOM 1906 O GLU B 120 -0.050 6.165 -8.535 1.00 0.00 O ATOM 1907 CB GLU B 120 -2.465 4.828 -10.384 1.00 0.00 C ATOM 1908 CG GLU B 120 -1.409 5.193 -11.409 1.00 0.00 C ATOM 1909 CD GLU B 120 -1.853 4.925 -12.825 1.00 0.00 C ATOM 1910 OE1 GLU B 120 -2.623 5.737 -13.379 1.00 0.00 O1- ATOM 1911 OE2 GLU B 120 -1.416 3.906 -13.398 1.00 0.00 O ATOM 0 H GLU B 120 -3.895 4.359 -8.412 1.00 0.00 H new ATOM 0 HA GLU B 120 -1.139 3.942 -8.977 1.00 0.00 H new ATOM 0 HB2 GLU B 120 -2.924 3.880 -10.665 1.00 0.00 H new ATOM 0 HB3 GLU B 120 -3.253 5.581 -10.399 1.00 0.00 H new ATOM 0 HG2 GLU B 120 -1.158 6.249 -11.305 1.00 0.00 H new ATOM 0 HG3 GLU B 120 -0.500 4.627 -11.205 1.00 0.00 H new ATOM 1918 N GLU B 121 -2.110 6.974 -8.113 1.00 0.00 N ATOM 1919 CA GLU B 121 -1.631 8.213 -7.514 1.00 0.00 C ATOM 1920 C GLU B 121 -0.759 7.902 -6.310 1.00 0.00 C ATOM 1921 O GLU B 121 0.312 8.479 -6.144 1.00 0.00 O ATOM 1922 CB GLU B 121 -2.807 9.091 -7.089 1.00 0.00 C ATOM 1923 CG GLU B 121 -3.476 9.816 -8.242 1.00 0.00 C ATOM 1924 CD GLU B 121 -2.664 10.995 -8.731 1.00 0.00 C ATOM 1925 OE1 GLU B 121 -1.734 10.792 -9.541 1.00 0.00 O1- ATOM 1926 OE2 GLU B 121 -2.954 12.135 -8.306 1.00 0.00 O ATOM 0 H GLU B 121 -3.125 6.907 -8.185 1.00 0.00 H new ATOM 0 HA GLU B 121 -1.042 8.753 -8.255 1.00 0.00 H new ATOM 0 HB2 GLU B 121 -3.547 8.471 -6.583 1.00 0.00 H new ATOM 0 HB3 GLU B 121 -2.457 9.826 -6.364 1.00 0.00 H new ATOM 0 HG2 GLU B 121 -3.631 9.119 -9.065 1.00 0.00 H new ATOM 0 HG3 GLU B 121 -4.461 10.162 -7.928 1.00 0.00 H new ATOM 1933 N PHE B 122 -1.229 6.970 -5.484 1.00 0.00 N ATOM 1934 CA PHE B 122 -0.485 6.510 -4.321 1.00 0.00 C ATOM 1935 C PHE B 122 0.915 6.079 -4.729 1.00 0.00 C ATOM 1936 O PHE B 122 1.901 6.605 -4.225 1.00 0.00 O ATOM 1937 CB PHE B 122 -1.221 5.339 -3.666 1.00 0.00 C ATOM 1938 CG PHE B 122 -0.550 4.797 -2.433 1.00 0.00 C ATOM 1939 CD1 PHE B 122 -0.766 5.381 -1.197 1.00 0.00 C ATOM 1940 CD2 PHE B 122 0.292 3.698 -2.515 1.00 0.00 C ATOM 1941 CE1 PHE B 122 -0.151 4.882 -0.064 1.00 0.00 C ATOM 1942 CE2 PHE B 122 0.908 3.196 -1.385 1.00 0.00 C ATOM 1943 CZ PHE B 122 0.687 3.789 -0.159 1.00 0.00 C ATOM 0 H PHE B 122 -2.134 6.515 -5.604 1.00 0.00 H new ATOM 0 HA PHE B 122 -0.405 7.329 -3.606 1.00 0.00 H new ATOM 0 HB2 PHE B 122 -2.230 5.659 -3.405 1.00 0.00 H new ATOM 0 HB3 PHE B 122 -1.320 4.534 -4.395 1.00 0.00 H new ATOM 0 HD1 PHE B 122 -1.422 6.235 -1.117 1.00 0.00 H new ATOM 0 HD2 PHE B 122 0.468 3.230 -3.472 1.00 0.00 H new ATOM 0 HE1 PHE B 122 -0.326 5.347 0.895 1.00 0.00 H new ATOM 0 HE2 PHE B 122 1.562 2.340 -1.461 1.00 0.00 H new ATOM 0 HZ PHE B 122 1.169 3.399 0.725 1.00 0.00 H new ATOM 1953 N CYS B 123 0.983 5.137 -5.663 1.00 0.00 N ATOM 1954 CA CYS B 123 2.256 4.625 -6.147 1.00 0.00 C ATOM 1955 C CYS B 123 3.134 5.757 -6.670 1.00 0.00 C ATOM 1956 O CYS B 123 4.287 5.887 -6.271 1.00 0.00 O ATOM 1957 CB CYS B 123 2.021 3.594 -7.256 1.00 0.00 C ATOM 1958 SG CYS B 123 0.963 2.211 -6.770 1.00 0.00 S ATOM 0 H CYS B 123 0.166 4.712 -6.101 1.00 0.00 H new ATOM 0 HA CYS B 123 2.770 4.146 -5.313 1.00 0.00 H new ATOM 0 HB2 CYS B 123 1.573 4.096 -8.114 1.00 0.00 H new ATOM 0 HB3 CYS B 123 2.984 3.203 -7.583 1.00 0.00 H new ATOM 0 HG CYS B 123 -0.262 2.626 -6.642 1.00 0.00 H new ATOM 1964 N GLN B 124 2.564 6.598 -7.528 1.00 0.00 N ATOM 1965 CA GLN B 124 3.330 7.647 -8.197 1.00 0.00 C ATOM 1966 C GLN B 124 3.851 8.685 -7.207 1.00 0.00 C ATOM 1967 O GLN B 124 5.056 8.925 -7.128 1.00 0.00 O ATOM 1968 CB GLN B 124 2.487 8.331 -9.276 1.00 0.00 C ATOM 1969 CG GLN B 124 2.156 7.430 -10.458 1.00 0.00 C ATOM 1970 CD GLN B 124 3.392 6.904 -11.164 1.00 0.00 C ATOM 1971 OE1 GLN B 124 4.446 7.543 -11.168 1.00 0.00 O ATOM 1972 NE2 GLN B 124 3.268 5.741 -11.783 1.00 0.00 N ATOM 0 H GLN B 124 1.575 6.574 -7.777 1.00 0.00 H new ATOM 0 HA GLN B 124 4.189 7.168 -8.667 1.00 0.00 H new ATOM 0 HB2 GLN B 124 1.558 8.684 -8.829 1.00 0.00 H new ATOM 0 HB3 GLN B 124 3.021 9.210 -9.639 1.00 0.00 H new ATOM 0 HG2 GLN B 124 1.557 6.589 -10.110 1.00 0.00 H new ATOM 0 HG3 GLN B 124 1.545 7.984 -11.171 1.00 0.00 H new ATOM 0 HE21 GLN B 124 2.379 5.242 -11.757 1.00 0.00 H new ATOM 0 HE22 GLN B 124 4.061 5.344 -12.286 1.00 0.00 H new ATOM 1981 N ILE B 125 2.940 9.284 -6.447 1.00 0.00 N ATOM 1982 CA ILE B 125 3.293 10.322 -5.482 1.00 0.00 C ATOM 1983 C ILE B 125 4.284 9.791 -4.454 1.00 0.00 C ATOM 1984 O ILE B 125 5.245 10.468 -4.083 1.00 0.00 O ATOM 1985 CB ILE B 125 2.038 10.845 -4.749 1.00 0.00 C ATOM 1986 CG1 ILE B 125 1.056 11.447 -5.753 1.00 0.00 C ATOM 1987 CG2 ILE B 125 2.417 11.875 -3.690 1.00 0.00 C ATOM 1988 CD1 ILE B 125 -0.315 11.713 -5.175 1.00 0.00 C ATOM 0 H ILE B 125 1.944 9.067 -6.481 1.00 0.00 H new ATOM 0 HA ILE B 125 3.751 11.140 -6.037 1.00 0.00 H new ATOM 0 HB ILE B 125 1.557 10.005 -4.247 1.00 0.00 H new ATOM 0 HG12 ILE B 125 1.467 12.381 -6.135 1.00 0.00 H new ATOM 0 HG13 ILE B 125 0.958 10.771 -6.602 1.00 0.00 H new ATOM 0 HG21 ILE B 125 1.517 12.228 -3.188 1.00 0.00 H new ATOM 0 HG22 ILE B 125 3.084 11.417 -2.960 1.00 0.00 H new ATOM 0 HG23 ILE B 125 2.922 12.716 -4.165 1.00 0.00 H new ATOM 0 HD11 ILE B 125 -0.958 12.140 -5.945 1.00 0.00 H new ATOM 0 HD12 ILE B 125 -0.747 10.778 -4.819 1.00 0.00 H new ATOM 0 HD13 ILE B 125 -0.230 12.413 -4.344 1.00 0.00 H new ATOM 2000 N LEU B 126 4.050 8.566 -4.013 1.00 0.00 N ATOM 2001 CA LEU B 126 4.877 7.953 -2.993 1.00 0.00 C ATOM 2002 C LEU B 126 6.262 7.614 -3.532 1.00 0.00 C ATOM 2003 O LEU B 126 7.275 7.999 -2.942 1.00 0.00 O ATOM 2004 CB LEU B 126 4.205 6.692 -2.466 1.00 0.00 C ATOM 2005 CG LEU B 126 4.937 6.010 -1.325 1.00 0.00 C ATOM 2006 CD1 LEU B 126 5.153 6.986 -0.188 1.00 0.00 C ATOM 2007 CD2 LEU B 126 4.161 4.793 -0.863 1.00 0.00 C ATOM 0 H LEU B 126 3.289 7.976 -4.349 1.00 0.00 H new ATOM 0 HA LEU B 126 4.995 8.670 -2.180 1.00 0.00 H new ATOM 0 HB2 LEU B 126 3.198 6.946 -2.133 1.00 0.00 H new ATOM 0 HB3 LEU B 126 4.100 5.983 -3.287 1.00 0.00 H new ATOM 0 HG LEU B 126 5.914 5.676 -1.674 1.00 0.00 H new ATOM 0 HD11 LEU B 126 5.679 6.486 0.625 1.00 0.00 H new ATOM 0 HD12 LEU B 126 5.747 7.829 -0.540 1.00 0.00 H new ATOM 0 HD13 LEU B 126 4.189 7.346 0.171 1.00 0.00 H new ATOM 0 HD21 LEU B 126 4.695 4.311 -0.044 1.00 0.00 H new ATOM 0 HD22 LEU B 126 3.173 5.100 -0.521 1.00 0.00 H new ATOM 0 HD23 LEU B 126 4.057 4.092 -1.691 1.00 0.00 H new ATOM 2019 N LEU B 127 6.312 6.911 -4.662 1.00 0.00 N ATOM 2020 CA LEU B 127 7.585 6.445 -5.199 1.00 0.00 C ATOM 2021 C LEU B 127 8.436 7.634 -5.618 1.00 0.00 C ATOM 2022 O LEU B 127 9.665 7.561 -5.616 1.00 0.00 O ATOM 2023 CB LEU B 127 7.383 5.468 -6.378 1.00 0.00 C ATOM 2024 CG LEU B 127 7.048 6.087 -7.748 1.00 0.00 C ATOM 2025 CD1 LEU B 127 8.315 6.509 -8.486 1.00 0.00 C ATOM 2026 CD2 LEU B 127 6.251 5.106 -8.598 1.00 0.00 C ATOM 0 H LEU B 127 5.495 6.655 -5.217 1.00 0.00 H new ATOM 0 HA LEU B 127 8.105 5.896 -4.414 1.00 0.00 H new ATOM 0 HB2 LEU B 127 8.291 4.876 -6.487 1.00 0.00 H new ATOM 0 HB3 LEU B 127 6.582 4.778 -6.113 1.00 0.00 H new ATOM 0 HG LEU B 127 6.442 6.976 -7.572 1.00 0.00 H new ATOM 0 HD11 LEU B 127 8.047 6.942 -9.450 1.00 0.00 H new ATOM 0 HD12 LEU B 127 8.853 7.248 -7.892 1.00 0.00 H new ATOM 0 HD13 LEU B 127 8.951 5.638 -8.644 1.00 0.00 H new ATOM 0 HD21 LEU B 127 6.024 5.561 -9.562 1.00 0.00 H new ATOM 0 HD22 LEU B 127 6.837 4.200 -8.754 1.00 0.00 H new ATOM 0 HD23 LEU B 127 5.321 4.854 -8.088 1.00 0.00 H new ATOM 2038 N ASP B 128 7.766 8.724 -5.970 1.00 0.00 N ATOM 2039 CA ASP B 128 8.435 9.949 -6.379 1.00 0.00 C ATOM 2040 C ASP B 128 9.375 10.420 -5.285 1.00 0.00 C ATOM 2041 O ASP B 128 10.547 10.710 -5.528 1.00 0.00 O ATOM 2042 CB ASP B 128 7.401 11.037 -6.663 1.00 0.00 C ATOM 2043 CG ASP B 128 8.014 12.291 -7.251 1.00 0.00 C ATOM 2044 OD1 ASP B 128 8.475 13.157 -6.479 1.00 0.00 O ATOM 2045 OD2 ASP B 128 8.031 12.423 -8.491 1.00 0.00 O1- ATOM 0 H ASP B 128 6.748 8.782 -5.980 1.00 0.00 H new ATOM 0 HA ASP B 128 9.009 9.749 -7.284 1.00 0.00 H new ATOM 0 HB2 ASP B 128 6.651 10.648 -7.351 1.00 0.00 H new ATOM 0 HB3 ASP B 128 6.884 11.291 -5.738 1.00 0.00 H new ATOM 2050 N LYS B 129 8.849 10.454 -4.074 1.00 0.00 N ATOM 2051 CA LYS B 129 9.604 10.913 -2.925 1.00 0.00 C ATOM 2052 C LYS B 129 10.523 9.809 -2.416 1.00 0.00 C ATOM 2053 O LYS B 129 11.616 10.077 -1.917 1.00 0.00 O ATOM 2054 CB LYS B 129 8.647 11.359 -1.821 1.00 0.00 C ATOM 2055 CG LYS B 129 7.557 12.301 -2.305 1.00 0.00 C ATOM 2056 CD LYS B 129 8.135 13.574 -2.898 1.00 0.00 C ATOM 2057 CE LYS B 129 7.041 14.478 -3.441 1.00 0.00 C ATOM 2058 NZ LYS B 129 6.132 14.966 -2.371 1.00 0.00 N1+ ATOM 0 H LYS B 129 7.894 10.166 -3.861 1.00 0.00 H new ATOM 0 HA LYS B 129 10.220 11.761 -3.224 1.00 0.00 H new ATOM 0 HB2 LYS B 129 8.184 10.479 -1.376 1.00 0.00 H new ATOM 0 HB3 LYS B 129 9.218 11.851 -1.034 1.00 0.00 H new ATOM 0 HG2 LYS B 129 6.946 11.796 -3.053 1.00 0.00 H new ATOM 0 HG3 LYS B 129 6.899 12.553 -1.474 1.00 0.00 H new ATOM 0 HD2 LYS B 129 8.704 14.106 -2.136 1.00 0.00 H new ATOM 0 HD3 LYS B 129 8.831 13.321 -3.698 1.00 0.00 H new ATOM 0 HE2 LYS B 129 7.494 15.331 -3.947 1.00 0.00 H new ATOM 0 HE3 LYS B 129 6.462 13.936 -4.188 1.00 0.00 H new ATOM 0 HZ1 LYS B 129 5.373 15.537 -2.794 1.00 0.00 H new ATOM 0 HZ2 LYS B 129 5.717 14.154 -1.871 1.00 0.00 H new ATOM 0 HZ3 LYS B 129 6.669 15.549 -1.698 1.00 0.00 H new ATOM 2072 N LEU B 130 10.080 8.564 -2.563 1.00 0.00 N ATOM 2073 CA LEU B 130 10.876 7.415 -2.141 1.00 0.00 C ATOM 2074 C LEU B 130 12.147 7.289 -2.973 1.00 0.00 C ATOM 2075 O LEU B 130 13.174 6.835 -2.479 1.00 0.00 O ATOM 2076 CB LEU B 130 10.063 6.121 -2.237 1.00 0.00 C ATOM 2077 CG LEU B 130 8.994 5.933 -1.160 1.00 0.00 C ATOM 2078 CD1 LEU B 130 8.152 4.706 -1.461 1.00 0.00 C ATOM 2079 CD2 LEU B 130 9.635 5.801 0.214 1.00 0.00 C ATOM 0 H LEU B 130 9.176 8.325 -2.970 1.00 0.00 H new ATOM 0 HA LEU B 130 11.157 7.578 -1.101 1.00 0.00 H new ATOM 0 HB2 LEU B 130 9.580 6.088 -3.213 1.00 0.00 H new ATOM 0 HB3 LEU B 130 10.751 5.276 -2.193 1.00 0.00 H new ATOM 0 HG LEU B 130 8.350 6.812 -1.160 1.00 0.00 H new ATOM 0 HD11 LEU B 130 7.395 4.585 -0.686 1.00 0.00 H new ATOM 0 HD12 LEU B 130 7.664 4.828 -2.428 1.00 0.00 H new ATOM 0 HD13 LEU B 130 8.791 3.823 -1.485 1.00 0.00 H new ATOM 0 HD21 LEU B 130 8.858 5.668 0.967 1.00 0.00 H new ATOM 0 HD22 LEU B 130 10.301 4.938 0.223 1.00 0.00 H new ATOM 0 HD23 LEU B 130 10.206 6.702 0.437 1.00 0.00 H new ATOM 2091 N ASN B 131 12.076 7.689 -4.235 1.00 0.00 N ATOM 2092 CA ASN B 131 13.246 7.660 -5.107 1.00 0.00 C ATOM 2093 C ASN B 131 13.995 8.984 -5.053 1.00 0.00 C ATOM 2094 O ASN B 131 15.085 9.115 -5.609 1.00 0.00 O ATOM 2095 CB ASN B 131 12.851 7.345 -6.551 1.00 0.00 C ATOM 2096 CG ASN B 131 12.538 5.878 -6.771 1.00 0.00 C ATOM 2097 OD1 ASN B 131 13.427 5.080 -7.077 1.00 0.00 O ATOM 2098 ND2 ASN B 131 11.275 5.510 -6.631 1.00 0.00 N ATOM 0 H ASN B 131 11.225 8.036 -4.678 1.00 0.00 H new ATOM 0 HA ASN B 131 13.903 6.868 -4.747 1.00 0.00 H new ATOM 0 HB2 ASN B 131 11.980 7.942 -6.822 1.00 0.00 H new ATOM 0 HB3 ASN B 131 13.661 7.642 -7.217 1.00 0.00 H new ATOM 0 HD21 ASN B 131 11.008 4.536 -6.777 1.00 0.00 H new ATOM 0 HD22 ASN B 131 10.568 6.200 -6.377 1.00 0.00 H new ATOM 2105 N ALA B 132 13.414 9.961 -4.368 1.00 0.00 N ATOM 2106 CA ALA B 132 14.026 11.279 -4.255 1.00 0.00 C ATOM 2107 C ALA B 132 15.044 11.315 -3.128 1.00 0.00 C ATOM 2108 O ALA B 132 15.791 12.277 -2.974 1.00 0.00 O ATOM 2109 CB ALA B 132 12.963 12.349 -4.050 1.00 0.00 C ATOM 0 H ALA B 132 12.522 9.866 -3.883 1.00 0.00 H new ATOM 0 HA ALA B 132 14.549 11.486 -5.188 1.00 0.00 H new ATOM 0 HB1 ALA B 132 13.441 13.325 -3.968 1.00 0.00 H new ATOM 0 HB2 ALA B 132 12.279 12.350 -4.899 1.00 0.00 H new ATOM 0 HB3 ALA B 132 12.407 12.139 -3.136 1.00 0.00 H new ATOM 2115 N VAL B 133 15.066 10.251 -2.349 1.00 0.00 N ATOM 2116 CA VAL B 133 15.998 10.133 -1.239 1.00 0.00 C ATOM 2117 C VAL B 133 17.106 9.138 -1.576 1.00 0.00 C ATOM 2118 O VAL B 133 18.215 9.217 -1.044 1.00 0.00 O ATOM 2119 CB VAL B 133 15.271 9.699 0.056 1.00 0.00 C ATOM 2120 CG1 VAL B 133 14.497 8.410 -0.162 1.00 0.00 C ATOM 2121 CG2 VAL B 133 16.256 9.544 1.205 1.00 0.00 C ATOM 0 H VAL B 133 14.446 9.450 -2.464 1.00 0.00 H new ATOM 0 HA VAL B 133 16.442 11.114 -1.069 1.00 0.00 H new ATOM 0 HB VAL B 133 14.560 10.482 0.319 1.00 0.00 H new ATOM 0 HG11 VAL B 133 13.995 8.126 0.763 1.00 0.00 H new ATOM 0 HG12 VAL B 133 13.755 8.559 -0.946 1.00 0.00 H new ATOM 0 HG13 VAL B 133 15.185 7.618 -0.459 1.00 0.00 H new ATOM 0 HG21 VAL B 133 15.721 9.238 2.104 1.00 0.00 H new ATOM 0 HG22 VAL B 133 16.997 8.787 0.949 1.00 0.00 H new ATOM 0 HG23 VAL B 133 16.756 10.495 1.386 1.00 0.00 H new ATOM 2131 N LYS B 134 16.798 8.222 -2.487 1.00 0.00 N ATOM 2132 CA LYS B 134 17.734 7.180 -2.884 1.00 0.00 C ATOM 2133 C LYS B 134 18.992 7.781 -3.487 1.00 0.00 C ATOM 2134 O LYS B 134 18.922 8.648 -4.358 1.00 0.00 O ATOM 2135 CB LYS B 134 17.084 6.230 -3.892 1.00 0.00 C ATOM 2136 CG LYS B 134 15.815 5.564 -3.381 1.00 0.00 C ATOM 2137 CD LYS B 134 16.069 4.730 -2.133 1.00 0.00 C ATOM 2138 CE LYS B 134 17.025 3.578 -2.403 1.00 0.00 C ATOM 2139 NZ LYS B 134 16.478 2.618 -3.397 1.00 0.00 N1+ ATOM 0 H LYS B 134 15.899 8.181 -2.967 1.00 0.00 H new ATOM 0 HA LYS B 134 18.008 6.620 -1.990 1.00 0.00 H new ATOM 0 HB2 LYS B 134 16.851 6.784 -4.801 1.00 0.00 H new ATOM 0 HB3 LYS B 134 17.803 5.458 -4.165 1.00 0.00 H new ATOM 0 HG2 LYS B 134 15.069 6.327 -3.161 1.00 0.00 H new ATOM 0 HG3 LYS B 134 15.399 4.928 -4.163 1.00 0.00 H new ATOM 0 HD2 LYS B 134 16.480 5.366 -1.349 1.00 0.00 H new ATOM 0 HD3 LYS B 134 15.123 4.337 -1.761 1.00 0.00 H new ATOM 0 HE2 LYS B 134 17.974 3.973 -2.765 1.00 0.00 H new ATOM 0 HE3 LYS B 134 17.233 3.054 -1.470 1.00 0.00 H new ATOM 0 HZ1 LYS B 134 16.631 1.646 -3.061 1.00 0.00 H new ATOM 0 HZ2 LYS B 134 15.459 2.786 -3.518 1.00 0.00 H new ATOM 0 HZ3 LYS B 134 16.961 2.749 -4.309 1.00 0.00 H new ATOM 2153 N LYS B 135 20.135 7.327 -3.005 1.00 0.00 N ATOM 2154 CA LYS B 135 21.413 7.796 -3.511 1.00 0.00 C ATOM 2155 C LYS B 135 21.745 7.079 -4.813 1.00 0.00 C ATOM 2156 O LYS B 135 21.711 7.732 -5.875 1.00 0.00 O ATOM 2157 CB LYS B 135 22.526 7.568 -2.479 1.00 0.00 C ATOM 2158 CG LYS B 135 22.147 7.980 -1.062 1.00 0.00 C ATOM 2159 CD LYS B 135 21.546 9.380 -1.009 1.00 0.00 C ATOM 2160 CE LYS B 135 22.554 10.457 -1.367 1.00 0.00 C ATOM 2161 NZ LYS B 135 23.637 10.569 -0.355 1.00 0.00 N1+ ATOM 2162 OXT LYS B 135 21.995 5.857 -4.772 1.00 0.00 O ATOM 0 H LYS B 135 20.205 6.632 -2.262 1.00 0.00 H new ATOM 0 HA LYS B 135 21.341 8.867 -3.700 1.00 0.00 H new ATOM 0 HB2 LYS B 135 22.798 6.512 -2.480 1.00 0.00 H new ATOM 0 HB3 LYS B 135 23.411 8.126 -2.785 1.00 0.00 H new ATOM 0 HG2 LYS B 135 21.432 7.264 -0.657 1.00 0.00 H new ATOM 0 HG3 LYS B 135 23.031 7.942 -0.426 1.00 0.00 H new ATOM 0 HD2 LYS B 135 20.700 9.435 -1.695 1.00 0.00 H new ATOM 0 HD3 LYS B 135 21.158 9.568 -0.008 1.00 0.00 H new ATOM 0 HE2 LYS B 135 22.990 10.235 -2.341 1.00 0.00 H new ATOM 0 HE3 LYS B 135 22.043 11.415 -1.458 1.00 0.00 H new ATOM 0 HZ1 LYS B 135 24.193 11.429 -0.536 1.00 0.00 H new ATOM 0 HZ2 LYS B 135 23.219 10.620 0.596 1.00 0.00 H new ATOM 0 HZ3 LYS B 135 24.257 9.736 -0.416 1.00 0.00 H new TER 2176 LYS B 135