USER MOD reduce.3.24.130724 H: found=0, std=0, add=1084, rem=0, adj=38 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 92 MET CE :methyl -168:sc= -0.166 (180deg=-0.6) USER MOD Set 1.2: B 94 SER OG : rot 180:sc= 0.0161 USER MOD Set 2.1: B 89 SER OG : rot -50:sc= 0.125 USER MOD Set 2.2: B 93 ASN : amide:sc= -0.913 X(o=-0.79,f=-1.1) USER MOD Set 3.1: B 72 HIS : no HD1:sc= 0.245 K(o=0.62,f=-3.2) USER MOD Set 3.2: B 116 ASN :FLIP amide:sc= 0.373 F(o=-0.56,f=0.62) USER MOD Set 4.1: B 42 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Set 4.2: B 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.1: B 54 TYR OH : rot 30:sc= 0.667 USER MOD Set 5.2: B 61 GLN : amide:sc= -0.782! C(o=-0.11!,f=-1.2!) USER MOD Single : A 1 GLY N :NH3+ -125:sc= 0.0646 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc=-0.00687 X(o=-0.0069,f=0) USER MOD Single : A 4 MET CE :methyl 159:sc= -0.247 (180deg=-0.911) USER MOD Single : A 7 ASN :FLIP amide:sc=-0.00209 F(o=-1,f=-0.0021) USER MOD Single : A 9 ASN : amide:sc= 0.242 K(o=0.24,f=-2.6) USER MOD Single : A 10 SER OG : rot 180:sc= -0.445 USER MOD Single : A 11 GLN : amide:sc= -2.63! C(o=-2.6!,f=-3.9!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 86:sc= 1.21 USER MOD Single : A 31 GLN :FLIP amide:sc= -0.312 F(o=-3.6!,f=-0.31) USER MOD Single : A 32 GLN : amide:sc= -1.09 K(o=-1.1,f=-5.9!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 132:sc= 1.24 USER MOD Single : B 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 43 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000673) USER MOD Single : B 44 THR OG1 : rot 180:sc= 0 USER MOD Single : B 46 LYS NZ :NH3+ 165:sc= 0.585 (180deg=-0.412!) USER MOD Single : B 47 THR OG1 : rot 64:sc= 1.26 USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 55 GLN : amide:sc= -2.09! X(o=-2.1!,f=-2.4) USER MOD Single : B 56 ASN : amide:sc= 1.23 K(o=1.2,f=-0.11) USER MOD Single : B 57 SER OG : rot 140:sc= -0.0389 USER MOD Single : B 66 TYR OH : rot 180:sc= 0 USER MOD Single : B 67 ASN : amide:sc= 0.264 K(o=0.26,f=-3.1!) USER MOD Single : B 68 THR OG1 : rot 180:sc= 0 USER MOD Single : B 70 LYS NZ :NH3+ -177:sc= 1.27 (180deg=1.26) 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 180:sc= 0 USER MOD Single : B 82 SER OG : rot 180:sc= -0.987 USER MOD Single : B 83 THR OG1 : rot 180:sc= 0 USER MOD Single : B 85 ASN :FLIP amide:sc= -0.0405 F(o=-1.1,f=-0.04) USER MOD Single : B 88 SER OG : rot 60:sc= 1.26 USER MOD Single : B 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 97 GLN : amide:sc= -6.24! C(o=-6.2!,f=-6!) USER MOD Single : B 98 LYS NZ :NH3+ 163:sc= 0.538 (180deg=0.129) USER MOD Single : B 103 ASN : amide:sc= 0.235 X(o=0.23,f=-0.24) USER MOD Single : B 104 TYR OH : rot 180:sc= 0 USER MOD Single : B 106 ASN : amide:sc= -2.59! C(o=-2.6!,f=-3.1!) USER MOD Single : B 107 THR OG1 : rot -25:sc= 1.26 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=-0.22) USER MOD Single : B 115 TYR OH : rot 180:sc= 0 USER MOD Single : B 123 CYS SG : rot 66:sc= 1.2 USER MOD Single : B 124 GLN :FLIP amide:sc= -0.252 F(o=-2.1!,f=-0.25) USER MOD Single : B 129 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0207) USER MOD Single : B 131 ASN :FLIP amide:sc= 0 F(o=-1.7,f=0) USER MOD Single : B 134 LYS NZ :NH3+ -114:sc= -0.371 (180deg=-2.03!) USER MOD Single : B 135 LYS NZ :NH3+ -173:sc= 0.813 (180deg=0.782) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.942 1.337 -24.482 1.00 0.00 N ATOM 2 CA GLY A 1 5.249 0.649 -24.594 1.00 0.00 C ATOM 3 C GLY A 1 5.416 -0.425 -23.541 1.00 0.00 C ATOM 4 O GLY A 1 4.436 -0.848 -22.925 1.00 0.00 O ATOM 0 H1 GLY A 1 3.443 1.284 -25.393 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.369 0.877 -23.746 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.095 2.334 -24.229 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.340 0.203 -25.584 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.053 1.379 -24.498 1.00 0.00 H new ATOM 10 N PRO A 2 6.653 -0.885 -23.306 1.00 0.00 N ATOM 11 CA PRO A 2 6.946 -1.909 -22.303 1.00 0.00 C ATOM 12 C PRO A 2 6.764 -1.373 -20.889 1.00 0.00 C ATOM 13 O PRO A 2 7.159 -0.246 -20.590 1.00 0.00 O ATOM 14 CB PRO A 2 8.419 -2.265 -22.550 1.00 0.00 C ATOM 15 CG PRO A 2 8.776 -1.622 -23.851 1.00 0.00 C ATOM 16 CD PRO A 2 7.868 -0.440 -23.996 1.00 0.00 C ATOM 0 HA PRO A 2 6.278 -2.766 -22.389 1.00 0.00 H new ATOM 0 HB2 PRO A 2 9.052 -1.895 -21.743 1.00 0.00 H new ATOM 0 HB3 PRO A 2 8.559 -3.345 -22.595 1.00 0.00 H new ATOM 0 HG2 PRO A 2 9.821 -1.313 -23.859 1.00 0.00 H new ATOM 0 HG3 PRO A 2 8.643 -2.319 -24.679 1.00 0.00 H new ATOM 0 HD2 PRO A 2 8.290 0.454 -23.538 1.00 0.00 H new ATOM 0 HD3 PRO A 2 7.676 -0.202 -25.042 1.00 0.00 H new ATOM 24 N HIS A 3 6.161 -2.178 -20.026 1.00 0.00 N ATOM 25 CA HIS A 3 5.904 -1.766 -18.652 1.00 0.00 C ATOM 26 C HIS A 3 7.199 -1.713 -17.856 1.00 0.00 C ATOM 27 O HIS A 3 7.815 -2.743 -17.580 1.00 0.00 O ATOM 28 CB HIS A 3 4.908 -2.715 -17.982 1.00 0.00 C ATOM 29 CG HIS A 3 3.572 -2.728 -18.651 1.00 0.00 C ATOM 30 ND1 HIS A 3 2.641 -1.729 -18.485 1.00 0.00 N ATOM 31 CD2 HIS A 3 3.022 -3.611 -19.519 1.00 0.00 C ATOM 32 CE1 HIS A 3 1.580 -1.994 -19.219 1.00 0.00 C ATOM 33 NE2 HIS A 3 1.785 -3.130 -19.856 1.00 0.00 N ATOM 0 H HIS A 3 5.840 -3.120 -20.252 1.00 0.00 H new ATOM 0 HA HIS A 3 5.470 -0.766 -18.673 1.00 0.00 H new ATOM 0 HB2 HIS A 3 5.319 -3.725 -17.984 1.00 0.00 H new ATOM 0 HB3 HIS A 3 4.783 -2.424 -16.939 1.00 0.00 H new ATOM 0 HD2 HIS A 3 3.475 -4.524 -19.878 1.00 0.00 H new ATOM 0 HE1 HIS A 3 0.692 -1.384 -19.288 1.00 0.00 H new ATOM 0 HE2 HIS A 3 1.129 -3.578 -20.496 1.00 0.00 H new ATOM 42 N MET A 4 7.616 -0.505 -17.507 1.00 0.00 N ATOM 43 CA MET A 4 8.845 -0.303 -16.758 1.00 0.00 C ATOM 44 C MET A 4 8.598 -0.457 -15.269 1.00 0.00 C ATOM 45 O MET A 4 7.615 0.059 -14.736 1.00 0.00 O ATOM 46 CB MET A 4 9.432 1.081 -17.038 1.00 0.00 C ATOM 47 CG MET A 4 9.979 1.246 -18.445 1.00 0.00 C ATOM 48 SD MET A 4 10.649 2.896 -18.741 1.00 0.00 S ATOM 49 CE MET A 4 11.865 3.009 -17.429 1.00 0.00 C ATOM 0 H MET A 4 7.116 0.355 -17.733 1.00 0.00 H new ATOM 0 HA MET A 4 9.558 -1.062 -17.081 1.00 0.00 H new ATOM 0 HB2 MET A 4 8.661 1.833 -16.868 1.00 0.00 H new ATOM 0 HB3 MET A 4 10.231 1.277 -16.323 1.00 0.00 H new ATOM 0 HG2 MET A 4 10.760 0.505 -18.616 1.00 0.00 H new ATOM 0 HG3 MET A 4 9.186 1.046 -19.165 1.00 0.00 H new ATOM 0 HE1 MET A 4 12.604 3.770 -17.682 1.00 0.00 H new ATOM 0 HE2 MET A 4 11.370 3.280 -16.496 1.00 0.00 H new ATOM 0 HE3 MET A 4 12.362 2.046 -17.310 1.00 0.00 H new ATOM 59 N PHE A 5 9.488 -1.170 -14.602 1.00 0.00 N ATOM 60 CA PHE A 5 9.387 -1.374 -13.171 1.00 0.00 C ATOM 61 C PHE A 5 10.753 -1.193 -12.524 1.00 0.00 C ATOM 62 O PHE A 5 11.782 -1.305 -13.191 1.00 0.00 O ATOM 63 CB PHE A 5 8.822 -2.766 -12.868 1.00 0.00 C ATOM 64 CG PHE A 5 9.605 -3.899 -13.474 1.00 0.00 C ATOM 65 CD1 PHE A 5 10.644 -4.492 -12.776 1.00 0.00 C ATOM 66 CD2 PHE A 5 9.296 -4.372 -14.740 1.00 0.00 C ATOM 67 CE1 PHE A 5 11.361 -5.533 -13.329 1.00 0.00 C ATOM 68 CE2 PHE A 5 10.010 -5.413 -15.299 1.00 0.00 C ATOM 69 CZ PHE A 5 11.043 -5.994 -14.593 1.00 0.00 C ATOM 0 H PHE A 5 10.295 -1.620 -15.034 1.00 0.00 H new ATOM 0 HA PHE A 5 8.704 -0.634 -12.755 1.00 0.00 H new ATOM 0 HB2 PHE A 5 8.785 -2.903 -11.787 1.00 0.00 H new ATOM 0 HB3 PHE A 5 7.795 -2.815 -13.230 1.00 0.00 H new ATOM 0 HD1 PHE A 5 10.896 -4.136 -11.788 1.00 0.00 H new ATOM 0 HD2 PHE A 5 8.487 -3.921 -15.296 1.00 0.00 H new ATOM 0 HE1 PHE A 5 12.169 -5.987 -12.775 1.00 0.00 H new ATOM 0 HE2 PHE A 5 9.760 -5.772 -16.287 1.00 0.00 H new ATOM 0 HZ PHE A 5 11.603 -6.809 -15.028 1.00 0.00 H new ATOM 79 N ALA A 6 10.754 -0.885 -11.239 1.00 0.00 N ATOM 80 CA ALA A 6 11.988 -0.700 -10.495 1.00 0.00 C ATOM 81 C ALA A 6 11.830 -1.273 -9.094 1.00 0.00 C ATOM 82 O ALA A 6 10.995 -2.148 -8.877 1.00 0.00 O ATOM 83 CB ALA A 6 12.359 0.776 -10.445 1.00 0.00 C ATOM 0 H ALA A 6 9.907 -0.757 -10.685 1.00 0.00 H new ATOM 0 HA ALA A 6 12.797 -1.230 -10.998 1.00 0.00 H new ATOM 0 HB1 ALA A 6 13.286 0.899 -9.884 1.00 0.00 H new ATOM 0 HB2 ALA A 6 12.496 1.151 -11.459 1.00 0.00 H new ATOM 0 HB3 ALA A 6 11.562 1.335 -9.956 1.00 0.00 H new ATOM 89 N ASN A 7 12.612 -0.791 -8.142 1.00 0.00 N ATOM 90 CA ASN A 7 12.506 -1.277 -6.771 1.00 0.00 C ATOM 91 C ASN A 7 11.570 -0.394 -5.961 1.00 0.00 C ATOM 92 O ASN A 7 11.434 -0.561 -4.749 1.00 0.00 O ATOM 93 CB ASN A 7 13.877 -1.340 -6.094 1.00 0.00 C ATOM 94 CG ASN A 7 14.851 -2.257 -6.802 1.00 0.00 C ATOM 95 OD1 ASN A 7 14.335 -3.278 -7.464 1.00 0.00 O flip ATOM 96 ND2 ASN A 7 16.064 -2.048 -6.753 1.00 0.00 N flip ATOM 0 H ASN A 7 13.320 -0.072 -8.288 1.00 0.00 H new ATOM 0 HA ASN A 7 12.098 -2.287 -6.812 1.00 0.00 H new ATOM 0 HB2 ASN A 7 14.300 -0.336 -6.050 1.00 0.00 H new ATOM 0 HB3 ASN A 7 13.752 -1.678 -5.065 1.00 0.00 H new ATOM 0 HD21 ASN A 7 16.423 -1.249 -6.231 1.00 0.00 H new ATOM 0 HD22 ASN A 7 16.709 -2.674 -7.234 1.00 0.00 H new ATOM 103 N GLU A 8 10.918 0.540 -6.640 1.00 0.00 N ATOM 104 CA GLU A 8 9.977 1.438 -5.986 1.00 0.00 C ATOM 105 C GLU A 8 8.834 0.660 -5.344 1.00 0.00 C ATOM 106 O GLU A 8 8.525 0.872 -4.178 1.00 0.00 O ATOM 107 CB GLU A 8 9.461 2.515 -6.960 1.00 0.00 C ATOM 108 CG GLU A 8 9.307 2.062 -8.409 1.00 0.00 C ATOM 109 CD GLU A 8 8.000 1.352 -8.697 1.00 0.00 C ATOM 110 OE1 GLU A 8 6.965 2.029 -8.843 1.00 0.00 O ATOM 111 OE2 GLU A 8 8.016 0.111 -8.803 1.00 0.00 O1- ATOM 0 H GLU A 8 11.023 0.695 -7.643 1.00 0.00 H new ATOM 0 HA GLU A 8 10.507 1.956 -5.187 1.00 0.00 H new ATOM 0 HB2 GLU A 8 8.495 2.872 -6.603 1.00 0.00 H new ATOM 0 HB3 GLU A 8 10.144 3.364 -6.932 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.388 2.932 -9.061 1.00 0.00 H new ATOM 0 HG3 GLU A 8 10.133 1.397 -8.661 1.00 0.00 H new ATOM 118 N ASN A 9 8.246 -0.273 -6.086 1.00 0.00 N ATOM 119 CA ASN A 9 7.166 -1.109 -5.560 1.00 0.00 C ATOM 120 C ASN A 9 7.619 -1.880 -4.325 1.00 0.00 C ATOM 121 O ASN A 9 6.835 -2.111 -3.411 1.00 0.00 O ATOM 122 CB ASN A 9 6.649 -2.083 -6.625 1.00 0.00 C ATOM 123 CG ASN A 9 7.754 -2.924 -7.227 1.00 0.00 C ATOM 124 OD1 ASN A 9 8.068 -4.010 -6.746 1.00 0.00 O ATOM 125 ND2 ASN A 9 8.351 -2.420 -8.284 1.00 0.00 N ATOM 0 H ASN A 9 8.498 -0.471 -7.054 1.00 0.00 H new ATOM 0 HA ASN A 9 6.351 -0.444 -5.275 1.00 0.00 H new ATOM 0 HB2 ASN A 9 5.900 -2.738 -6.181 1.00 0.00 H new ATOM 0 HB3 ASN A 9 6.152 -1.521 -7.416 1.00 0.00 H new ATOM 0 HD21 ASN A 9 9.106 -2.935 -8.737 1.00 0.00 H new ATOM 0 HD22 ASN A 9 8.059 -1.514 -8.651 1.00 0.00 H new ATOM 132 N SER A 10 8.893 -2.248 -4.293 1.00 0.00 N ATOM 133 CA SER A 10 9.454 -2.966 -3.157 1.00 0.00 C ATOM 134 C SER A 10 9.379 -2.097 -1.899 1.00 0.00 C ATOM 135 O SER A 10 9.021 -2.570 -0.820 1.00 0.00 O ATOM 136 CB SER A 10 10.907 -3.370 -3.451 1.00 0.00 C ATOM 137 OG SER A 10 11.408 -4.269 -2.474 1.00 0.00 O ATOM 0 H SER A 10 9.559 -2.060 -5.043 1.00 0.00 H new ATOM 0 HA SER A 10 8.873 -3.872 -2.987 1.00 0.00 H new ATOM 0 HB2 SER A 10 10.964 -3.834 -4.436 1.00 0.00 H new ATOM 0 HB3 SER A 10 11.534 -2.479 -3.481 1.00 0.00 H new ATOM 0 HG SER A 10 12.333 -4.507 -2.692 1.00 0.00 H new ATOM 143 N GLN A 11 9.693 -0.818 -2.063 1.00 0.00 N ATOM 144 CA GLN A 11 9.641 0.138 -0.965 1.00 0.00 C ATOM 145 C GLN A 11 8.196 0.505 -0.645 1.00 0.00 C ATOM 146 O GLN A 11 7.838 0.710 0.515 1.00 0.00 O ATOM 147 CB GLN A 11 10.434 1.385 -1.330 1.00 0.00 C ATOM 148 CG GLN A 11 11.858 1.074 -1.750 1.00 0.00 C ATOM 149 CD GLN A 11 12.733 2.304 -1.810 1.00 0.00 C ATOM 150 OE1 GLN A 11 13.664 2.380 -2.610 1.00 0.00 O ATOM 151 NE2 GLN A 11 12.442 3.270 -0.960 1.00 0.00 N ATOM 0 H GLN A 11 9.988 -0.417 -2.953 1.00 0.00 H new ATOM 0 HA GLN A 11 10.083 -0.318 -0.079 1.00 0.00 H new ATOM 0 HB2 GLN A 11 9.927 1.908 -2.141 1.00 0.00 H new ATOM 0 HB3 GLN A 11 10.452 2.062 -0.476 1.00 0.00 H new ATOM 0 HG2 GLN A 11 12.291 0.360 -1.049 1.00 0.00 H new ATOM 0 HG3 GLN A 11 11.847 0.594 -2.728 1.00 0.00 H new ATOM 0 HE21 GLN A 11 11.660 3.163 -0.314 1.00 0.00 H new ATOM 0 HE22 GLN A 11 12.999 4.124 -0.949 1.00 0.00 H new ATOM 160 N LEU A 12 7.378 0.583 -1.690 1.00 0.00 N ATOM 161 CA LEU A 12 5.947 0.850 -1.556 1.00 0.00 C ATOM 162 C LEU A 12 5.294 -0.151 -0.609 1.00 0.00 C ATOM 163 O LEU A 12 4.517 0.227 0.265 1.00 0.00 O ATOM 164 CB LEU A 12 5.273 0.774 -2.929 1.00 0.00 C ATOM 165 CG LEU A 12 5.167 2.091 -3.715 1.00 0.00 C ATOM 166 CD1 LEU A 12 6.448 2.906 -3.632 1.00 0.00 C ATOM 167 CD2 LEU A 12 4.842 1.797 -5.169 1.00 0.00 C ATOM 0 H LEU A 12 7.687 0.463 -2.655 1.00 0.00 H new ATOM 0 HA LEU A 12 5.823 1.851 -1.142 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.821 0.056 -3.539 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.268 0.375 -2.794 1.00 0.00 H new ATOM 0 HG LEU A 12 4.368 2.681 -3.266 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.330 3.828 -4.201 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.659 3.147 -2.590 1.00 0.00 H new ATOM 0 HD13 LEU A 12 7.274 2.328 -4.045 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.768 2.733 -5.722 1.00 0.00 H new ATOM 0 HD22 LEU A 12 5.631 1.182 -5.601 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.893 1.264 -5.229 1.00 0.00 H new ATOM 179 N LEU A 13 5.631 -1.424 -0.782 1.00 0.00 N ATOM 180 CA LEU A 13 5.053 -2.499 0.023 1.00 0.00 C ATOM 181 C LEU A 13 5.371 -2.320 1.498 1.00 0.00 C ATOM 182 O LEU A 13 4.486 -2.404 2.349 1.00 0.00 O ATOM 183 CB LEU A 13 5.591 -3.851 -0.434 1.00 0.00 C ATOM 184 CG LEU A 13 5.438 -4.147 -1.921 1.00 0.00 C ATOM 185 CD1 LEU A 13 6.026 -5.504 -2.241 1.00 0.00 C ATOM 186 CD2 LEU A 13 3.979 -4.073 -2.343 1.00 0.00 C ATOM 0 H LEU A 13 6.307 -1.741 -1.478 1.00 0.00 H new ATOM 0 HA LEU A 13 3.972 -2.461 -0.113 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.649 -3.908 -0.177 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.083 -4.634 0.129 1.00 0.00 H new ATOM 0 HG LEU A 13 5.983 -3.390 -2.485 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.913 -5.708 -3.306 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.084 -5.512 -1.981 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.505 -6.271 -1.667 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.897 -4.288 -3.408 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.400 -4.804 -1.779 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.593 -3.073 -2.144 1.00 0.00 H new ATOM 198 N ASP A 14 6.640 -2.078 1.795 1.00 0.00 N ATOM 199 CA ASP A 14 7.089 -1.930 3.175 1.00 0.00 C ATOM 200 C ASP A 14 6.485 -0.680 3.798 1.00 0.00 C ATOM 201 O ASP A 14 6.229 -0.629 5.004 1.00 0.00 O ATOM 202 CB ASP A 14 8.618 -1.879 3.241 1.00 0.00 C ATOM 203 CG ASP A 14 9.256 -3.186 2.817 1.00 0.00 C ATOM 204 OD1 ASP A 14 8.723 -4.259 3.170 1.00 0.00 O1- ATOM 205 OD2 ASP A 14 10.290 -3.155 2.115 1.00 0.00 O ATOM 0 H ASP A 14 7.379 -1.980 1.099 1.00 0.00 H new ATOM 0 HA ASP A 14 6.751 -2.797 3.743 1.00 0.00 H new ATOM 0 HB2 ASP A 14 8.980 -1.076 2.600 1.00 0.00 H new ATOM 0 HB3 ASP A 14 8.928 -1.639 4.258 1.00 0.00 H new ATOM 210 N PHE A 15 6.255 0.317 2.958 1.00 0.00 N ATOM 211 CA PHE A 15 5.582 1.546 3.355 1.00 0.00 C ATOM 212 C PHE A 15 4.145 1.240 3.773 1.00 0.00 C ATOM 213 O PHE A 15 3.719 1.584 4.877 1.00 0.00 O ATOM 214 CB PHE A 15 5.610 2.516 2.171 1.00 0.00 C ATOM 215 CG PHE A 15 5.105 3.902 2.449 1.00 0.00 C ATOM 216 CD1 PHE A 15 3.757 4.202 2.328 1.00 0.00 C ATOM 217 CD2 PHE A 15 5.987 4.915 2.785 1.00 0.00 C ATOM 218 CE1 PHE A 15 3.299 5.487 2.542 1.00 0.00 C ATOM 219 CE2 PHE A 15 5.535 6.204 2.990 1.00 0.00 C ATOM 220 CZ PHE A 15 4.190 6.489 2.870 1.00 0.00 C ATOM 0 H PHE A 15 6.531 0.297 1.976 1.00 0.00 H new ATOM 0 HA PHE A 15 6.090 1.999 4.207 1.00 0.00 H new ATOM 0 HB2 PHE A 15 6.636 2.589 1.810 1.00 0.00 H new ATOM 0 HB3 PHE A 15 5.017 2.089 1.362 1.00 0.00 H new ATOM 0 HD1 PHE A 15 3.058 3.423 2.064 1.00 0.00 H new ATOM 0 HD2 PHE A 15 7.039 4.695 2.888 1.00 0.00 H new ATOM 0 HE1 PHE A 15 2.246 5.708 2.453 1.00 0.00 H new ATOM 0 HE2 PHE A 15 6.233 6.988 3.244 1.00 0.00 H new ATOM 0 HZ PHE A 15 3.835 7.496 3.033 1.00 0.00 H new ATOM 230 N ILE A 16 3.416 0.573 2.882 1.00 0.00 N ATOM 231 CA ILE A 16 2.044 0.148 3.149 1.00 0.00 C ATOM 232 C ILE A 16 1.979 -0.722 4.401 1.00 0.00 C ATOM 233 O ILE A 16 1.073 -0.593 5.228 1.00 0.00 O ATOM 234 CB ILE A 16 1.474 -0.648 1.951 1.00 0.00 C ATOM 235 CG1 ILE A 16 1.474 0.214 0.690 1.00 0.00 C ATOM 236 CG2 ILE A 16 0.068 -1.147 2.253 1.00 0.00 C ATOM 237 CD1 ILE A 16 1.164 -0.560 -0.572 1.00 0.00 C ATOM 0 H ILE A 16 3.758 0.312 1.957 1.00 0.00 H new ATOM 0 HA ILE A 16 1.446 1.046 3.304 1.00 0.00 H new ATOM 0 HB ILE A 16 2.114 -1.514 1.781 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.741 1.013 0.806 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.449 0.689 0.585 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.312 -1.704 1.397 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.093 -1.798 3.127 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.585 -0.297 2.452 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.181 0.116 -1.427 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.911 -1.342 -0.712 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.176 -1.013 -0.488 1.00 0.00 H new ATOM 249 N ARG A 17 2.964 -1.597 4.532 1.00 0.00 N ATOM 250 CA ARG A 17 3.037 -2.521 5.649 1.00 0.00 C ATOM 251 C ARG A 17 3.159 -1.776 6.979 1.00 0.00 C ATOM 252 O ARG A 17 2.526 -2.144 7.969 1.00 0.00 O ATOM 253 CB ARG A 17 4.220 -3.466 5.447 1.00 0.00 C ATOM 254 CG ARG A 17 4.345 -4.538 6.509 1.00 0.00 C ATOM 255 CD ARG A 17 5.442 -5.521 6.156 1.00 0.00 C ATOM 256 NE ARG A 17 5.671 -6.494 7.224 1.00 0.00 N ATOM 257 CZ ARG A 17 6.551 -7.492 7.149 1.00 0.00 C ATOM 258 NH1 ARG A 17 7.345 -7.612 6.095 1.00 0.00 N1+ ATOM 259 NH2 ARG A 17 6.655 -8.356 8.149 1.00 0.00 N ATOM 0 H ARG A 17 3.733 -1.685 3.868 1.00 0.00 H new ATOM 0 HA ARG A 17 2.115 -3.101 5.686 1.00 0.00 H new ATOM 0 HB2 ARG A 17 4.126 -3.945 4.472 1.00 0.00 H new ATOM 0 HB3 ARG A 17 5.139 -2.881 5.427 1.00 0.00 H new ATOM 0 HG2 ARG A 17 4.560 -4.077 7.473 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.397 -5.066 6.612 1.00 0.00 H new ATOM 0 HD2 ARG A 17 5.177 -6.046 5.238 1.00 0.00 H new ATOM 0 HD3 ARG A 17 6.366 -4.977 5.957 1.00 0.00 H new ATOM 0 HE ARG A 17 5.123 -6.403 8.079 1.00 0.00 H new ATOM 0 HH11 ARG A 17 7.286 -6.937 5.332 1.00 0.00 H new ATOM 0 HH12 ARG A 17 8.016 -8.379 6.046 1.00 0.00 H new ATOM 0 HH21 ARG A 17 6.062 -8.256 8.973 1.00 0.00 H new ATOM 0 HH22 ARG A 17 7.328 -9.121 8.094 1.00 0.00 H new ATOM 273 N GLU A 18 3.977 -0.731 7.003 1.00 0.00 N ATOM 274 CA GLU A 18 4.119 0.093 8.198 1.00 0.00 C ATOM 275 C GLU A 18 2.846 0.864 8.503 1.00 0.00 C ATOM 276 O GLU A 18 2.514 1.076 9.668 1.00 0.00 O ATOM 277 CB GLU A 18 5.293 1.058 8.065 1.00 0.00 C ATOM 278 CG GLU A 18 6.632 0.365 8.191 1.00 0.00 C ATOM 279 CD GLU A 18 7.796 1.330 8.268 1.00 0.00 C ATOM 280 OE1 GLU A 18 7.588 2.502 8.639 1.00 0.00 O ATOM 281 OE2 GLU A 18 8.934 0.906 7.985 1.00 0.00 O1- ATOM 0 H GLU A 18 4.550 -0.435 6.213 1.00 0.00 H new ATOM 0 HA GLU A 18 4.314 -0.584 9.029 1.00 0.00 H new ATOM 0 HB2 GLU A 18 5.238 1.561 7.100 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.213 1.829 8.831 1.00 0.00 H new ATOM 0 HG2 GLU A 18 6.628 -0.261 9.083 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.773 -0.298 7.337 1.00 0.00 H new ATOM 288 N LEU A 19 2.126 1.266 7.462 1.00 0.00 N ATOM 289 CA LEU A 19 0.890 2.018 7.640 1.00 0.00 C ATOM 290 C LEU A 19 -0.086 1.245 8.512 1.00 0.00 C ATOM 291 O LEU A 19 -0.604 1.766 9.499 1.00 0.00 O ATOM 292 CB LEU A 19 0.214 2.310 6.296 1.00 0.00 C ATOM 293 CG LEU A 19 1.040 3.088 5.280 1.00 0.00 C ATOM 294 CD1 LEU A 19 0.288 3.196 3.963 1.00 0.00 C ATOM 295 CD2 LEU A 19 1.376 4.469 5.807 1.00 0.00 C ATOM 0 H LEU A 19 2.376 1.085 6.490 1.00 0.00 H new ATOM 0 HA LEU A 19 1.156 2.960 8.120 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.076 1.361 5.846 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.704 2.866 6.488 1.00 0.00 H new ATOM 0 HG LEU A 19 1.972 2.549 5.110 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.889 3.754 3.245 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.092 2.197 3.573 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.657 3.714 4.125 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.966 5.008 5.066 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.455 5.017 6.005 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.949 4.377 6.730 1.00 0.00 H new ATOM 307 N GLY A 20 -0.331 -0.002 8.143 1.00 0.00 N ATOM 308 CA GLY A 20 -1.275 -0.820 8.875 1.00 0.00 C ATOM 309 C GLY A 20 -0.768 -1.203 10.247 1.00 0.00 C ATOM 310 O GLY A 20 -1.542 -1.621 11.104 1.00 0.00 O ATOM 0 H GLY A 20 0.108 -0.464 7.347 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.216 -0.280 8.977 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.487 -1.724 8.304 1.00 0.00 H new ATOM 314 N ASP A 21 0.530 -1.044 10.463 1.00 0.00 N ATOM 315 CA ASP A 21 1.139 -1.415 11.729 1.00 0.00 C ATOM 316 C ASP A 21 0.908 -0.338 12.784 1.00 0.00 C ATOM 317 O ASP A 21 0.814 -0.637 13.971 1.00 0.00 O ATOM 318 CB ASP A 21 2.633 -1.656 11.541 1.00 0.00 C ATOM 319 CG ASP A 21 3.271 -2.314 12.744 1.00 0.00 C ATOM 320 OD1 ASP A 21 3.017 -3.514 12.971 1.00 0.00 O1- ATOM 321 OD2 ASP A 21 4.052 -1.647 13.449 1.00 0.00 O ATOM 0 H ASP A 21 1.180 -0.661 9.777 1.00 0.00 H new ATOM 0 HA ASP A 21 0.670 -2.336 12.076 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.789 -2.283 10.663 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.129 -0.705 11.346 1.00 0.00 H new ATOM 326 N VAL A 22 0.807 0.914 12.349 1.00 0.00 N ATOM 327 CA VAL A 22 0.575 2.017 13.276 1.00 0.00 C ATOM 328 C VAL A 22 -0.881 2.468 13.254 1.00 0.00 C ATOM 329 O VAL A 22 -1.360 3.089 14.203 1.00 0.00 O ATOM 330 CB VAL A 22 1.490 3.226 12.984 1.00 0.00 C ATOM 331 CG1 VAL A 22 2.900 2.956 13.476 1.00 0.00 C ATOM 332 CG2 VAL A 22 1.508 3.549 11.499 1.00 0.00 C ATOM 0 H VAL A 22 0.881 1.189 11.370 1.00 0.00 H new ATOM 0 HA VAL A 22 0.816 1.635 14.268 1.00 0.00 H new ATOM 0 HB VAL A 22 1.089 4.088 13.518 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.531 3.818 13.262 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.882 2.777 14.551 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.301 2.078 12.969 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.160 4.404 11.321 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.879 2.688 10.944 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.498 3.787 11.166 1.00 0.00 H new ATOM 342 N GLY A 23 -1.580 2.167 12.168 1.00 0.00 N ATOM 343 CA GLY A 23 -3.010 2.407 12.123 1.00 0.00 C ATOM 344 C GLY A 23 -3.379 3.404 11.053 1.00 0.00 C ATOM 345 O GLY A 23 -4.448 4.007 11.081 1.00 0.00 O ATOM 0 H GLY A 23 -1.185 1.762 11.319 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.530 1.467 11.939 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.347 2.773 13.093 1.00 0.00 H new ATOM 349 N LEU A 24 -2.483 3.559 10.099 1.00 0.00 N ATOM 350 CA LEU A 24 -2.629 4.543 9.042 1.00 0.00 C ATOM 351 C LEU A 24 -3.335 3.942 7.836 1.00 0.00 C ATOM 352 O LEU A 24 -3.987 4.645 7.068 1.00 0.00 O ATOM 353 CB LEU A 24 -1.249 5.069 8.648 1.00 0.00 C ATOM 354 CG LEU A 24 -0.709 6.222 9.502 1.00 0.00 C ATOM 355 CD1 LEU A 24 -0.987 6.021 10.980 1.00 0.00 C ATOM 356 CD2 LEU A 24 0.784 6.392 9.272 1.00 0.00 C ATOM 0 H LEU A 24 -1.629 3.004 10.034 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.240 5.369 9.407 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.539 4.243 8.694 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.289 5.398 7.610 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.232 7.126 9.191 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.586 6.863 11.544 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.063 5.955 11.142 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.512 5.100 11.317 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.155 7.214 9.884 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.301 5.473 9.546 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.967 6.611 8.220 1.00 0.00 H new ATOM 368 N LEU A 25 -3.196 2.639 7.672 1.00 0.00 N ATOM 369 CA LEU A 25 -3.856 1.937 6.582 1.00 0.00 C ATOM 370 C LEU A 25 -5.198 1.387 7.042 1.00 0.00 C ATOM 371 O LEU A 25 -6.040 1.006 6.231 1.00 0.00 O ATOM 372 CB LEU A 25 -2.972 0.799 6.079 1.00 0.00 C ATOM 373 CG LEU A 25 -3.500 0.059 4.855 1.00 0.00 C ATOM 374 CD1 LEU A 25 -3.592 0.999 3.664 1.00 0.00 C ATOM 375 CD2 LEU A 25 -2.614 -1.130 4.538 1.00 0.00 C ATOM 0 H LEU A 25 -2.632 2.044 8.279 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.026 2.641 5.768 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.987 1.202 5.843 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.837 0.081 6.888 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.502 -0.309 5.074 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.971 0.454 2.799 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.268 1.820 3.900 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.603 1.397 3.438 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.002 -1.650 3.662 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.600 -0.785 4.335 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.602 -1.812 5.388 1.00 0.00 H new ATOM 387 N GLU A 26 -5.390 1.364 8.352 1.00 0.00 N ATOM 388 CA GLU A 26 -6.603 0.829 8.941 1.00 0.00 C ATOM 389 C GLU A 26 -7.831 1.604 8.481 1.00 0.00 C ATOM 390 O GLU A 26 -7.802 2.832 8.351 1.00 0.00 O ATOM 391 CB GLU A 26 -6.491 0.830 10.460 1.00 0.00 C ATOM 392 CG GLU A 26 -5.578 -0.265 10.985 1.00 0.00 C ATOM 393 CD GLU A 26 -5.678 -0.444 12.484 1.00 0.00 C ATOM 394 OE1 GLU A 26 -6.767 -0.804 12.974 1.00 0.00 O1- ATOM 395 OE2 GLU A 26 -4.669 -0.219 13.182 1.00 0.00 O ATOM 0 H GLU A 26 -4.713 1.713 9.031 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.724 -0.200 8.602 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.116 1.799 10.791 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.484 0.707 10.893 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.827 -1.206 10.494 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.547 -0.030 10.720 1.00 0.00 H new ATOM 402 N TYR A 27 -8.898 0.871 8.221 1.00 0.00 N ATOM 403 CA TYR A 27 -10.105 1.443 7.651 1.00 0.00 C ATOM 404 C TYR A 27 -11.346 0.769 8.227 1.00 0.00 C ATOM 405 O TYR A 27 -11.244 -0.202 8.976 1.00 0.00 O ATOM 406 CB TYR A 27 -10.071 1.278 6.128 1.00 0.00 C ATOM 407 CG TYR A 27 -9.959 -0.163 5.684 1.00 0.00 C ATOM 408 CD1 TYR A 27 -8.722 -0.784 5.590 1.00 0.00 C ATOM 409 CD2 TYR A 27 -11.090 -0.905 5.376 1.00 0.00 C ATOM 410 CE1 TYR A 27 -8.614 -2.103 5.205 1.00 0.00 C ATOM 411 CE2 TYR A 27 -10.990 -2.226 4.985 1.00 0.00 C ATOM 412 CZ TYR A 27 -9.749 -2.821 4.903 1.00 0.00 C ATOM 413 OH TYR A 27 -9.641 -4.139 4.529 1.00 0.00 O ATOM 0 H TYR A 27 -8.953 -0.132 8.398 1.00 0.00 H new ATOM 0 HA TYR A 27 -10.150 2.503 7.902 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -10.975 1.713 5.702 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -9.228 1.841 5.727 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -7.828 -0.224 5.823 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -12.064 -0.443 5.443 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -7.643 -2.571 5.141 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -11.879 -2.790 4.745 1.00 0.00 H new ATOM 0 HH TYR A 27 -10.533 -4.503 4.351 1.00 0.00 H new ATOM 423 N GLU A 28 -12.513 1.275 7.856 1.00 0.00 N ATOM 424 CA GLU A 28 -13.774 0.728 8.331 1.00 0.00 C ATOM 425 C GLU A 28 -14.823 0.827 7.234 1.00 0.00 C ATOM 426 O GLU A 28 -15.263 1.919 6.883 1.00 0.00 O ATOM 427 CB GLU A 28 -14.249 1.472 9.583 1.00 0.00 C ATOM 428 CG GLU A 28 -15.589 0.981 10.114 1.00 0.00 C ATOM 429 CD GLU A 28 -16.058 1.758 11.326 1.00 0.00 C ATOM 430 OE1 GLU A 28 -16.447 2.932 11.170 1.00 0.00 O ATOM 431 OE2 GLU A 28 -16.050 1.193 12.441 1.00 0.00 O1- ATOM 0 H GLU A 28 -12.612 2.069 7.223 1.00 0.00 H new ATOM 0 HA GLU A 28 -13.624 -0.320 8.592 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -13.497 1.366 10.365 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -14.325 2.535 9.356 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -16.338 1.059 9.326 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -15.508 -0.075 10.374 1.00 0.00 H new ATOM 438 N LEU A 29 -15.208 -0.313 6.690 1.00 0.00 N ATOM 439 CA LEU A 29 -16.157 -0.349 5.590 1.00 0.00 C ATOM 440 C LEU A 29 -17.559 -0.650 6.082 1.00 0.00 C ATOM 441 O LEU A 29 -17.772 -1.590 6.847 1.00 0.00 O ATOM 442 CB LEU A 29 -15.757 -1.414 4.575 1.00 0.00 C ATOM 443 CG LEU A 29 -14.389 -1.230 3.931 1.00 0.00 C ATOM 444 CD1 LEU A 29 -14.094 -2.392 3.006 1.00 0.00 C ATOM 445 CD2 LEU A 29 -14.327 0.083 3.171 1.00 0.00 C ATOM 0 H LEU A 29 -14.877 -1.229 6.992 1.00 0.00 H new ATOM 0 HA LEU A 29 -16.146 0.635 5.121 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -15.779 -2.386 5.068 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -16.509 -1.439 3.787 1.00 0.00 H new ATOM 0 HG LEU A 29 -13.634 -1.203 4.716 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -13.114 -2.254 2.549 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -14.101 -3.321 3.576 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -14.855 -2.439 2.227 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -13.342 0.195 2.719 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -15.088 0.088 2.390 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -14.507 0.910 3.858 1.00 0.00 H new ATOM 457 N SER A 30 -18.509 0.151 5.641 1.00 0.00 N ATOM 458 CA SER A 30 -19.912 -0.126 5.892 1.00 0.00 C ATOM 459 C SER A 30 -20.419 -1.094 4.835 1.00 0.00 C ATOM 460 O SER A 30 -19.680 -1.421 3.910 1.00 0.00 O ATOM 461 CB SER A 30 -20.719 1.166 5.857 1.00 0.00 C ATOM 462 OG SER A 30 -20.077 2.178 6.615 1.00 0.00 O ATOM 0 H SER A 30 -18.335 1.002 5.105 1.00 0.00 H new ATOM 0 HA SER A 30 -20.026 -0.572 6.880 1.00 0.00 H new ATOM 0 HB2 SER A 30 -20.839 1.498 4.826 1.00 0.00 H new ATOM 0 HB3 SER A 30 -21.719 0.987 6.253 1.00 0.00 H new ATOM 0 HG SER A 30 -19.418 2.638 6.054 1.00 0.00 H new ATOM 468 N GLN A 31 -21.660 -1.541 4.939 1.00 0.00 N ATOM 469 CA GLN A 31 -22.184 -2.483 3.975 1.00 0.00 C ATOM 470 C GLN A 31 -22.181 -1.864 2.583 1.00 0.00 C ATOM 471 O GLN A 31 -21.860 -2.528 1.601 1.00 0.00 O ATOM 472 CB GLN A 31 -23.593 -2.917 4.365 1.00 0.00 C ATOM 473 CG GLN A 31 -24.178 -3.946 3.423 1.00 0.00 C ATOM 474 CD GLN A 31 -23.700 -5.360 3.691 1.00 0.00 C ATOM 475 OE1 GLN A 31 -22.544 -5.501 4.320 1.00 0.00 O flip ATOM 476 NE2 GLN A 31 -24.388 -6.325 3.361 1.00 0.00 N flip ATOM 0 H GLN A 31 -22.313 -1.268 5.673 1.00 0.00 H new ATOM 0 HA GLN A 31 -21.545 -3.366 3.965 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -23.574 -3.327 5.375 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -24.243 -2.042 4.388 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -25.265 -3.919 3.499 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -23.923 -3.674 2.399 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -25.274 -6.178 2.877 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -24.073 -7.272 3.571 1.00 0.00 H new ATOM 485 N GLN A 32 -22.500 -0.577 2.518 1.00 0.00 N ATOM 486 CA GLN A 32 -22.497 0.158 1.273 1.00 0.00 C ATOM 487 C GLN A 32 -21.100 0.184 0.660 1.00 0.00 C ATOM 488 O GLN A 32 -20.935 0.014 -0.548 1.00 0.00 O ATOM 489 CB GLN A 32 -22.973 1.580 1.541 1.00 0.00 C ATOM 490 CG GLN A 32 -24.362 1.663 2.154 1.00 0.00 C ATOM 491 CD GLN A 32 -25.463 1.225 1.207 1.00 0.00 C ATOM 492 OE1 GLN A 32 -25.260 0.384 0.329 1.00 0.00 O ATOM 493 NE2 GLN A 32 -26.643 1.793 1.383 1.00 0.00 N ATOM 0 H GLN A 32 -22.767 -0.020 3.330 1.00 0.00 H new ATOM 0 HA GLN A 32 -23.166 -0.334 0.566 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -22.263 2.070 2.208 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -22.967 2.137 0.604 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -24.394 1.042 3.049 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -24.551 2.689 2.470 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -26.771 2.485 2.121 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -27.426 1.539 0.781 1.00 0.00 H new ATOM 502 N GLU A 33 -20.103 0.380 1.510 1.00 0.00 N ATOM 503 CA GLU A 33 -18.716 0.441 1.074 1.00 0.00 C ATOM 504 C GLU A 33 -18.204 -0.953 0.725 1.00 0.00 C ATOM 505 O GLU A 33 -17.395 -1.121 -0.182 1.00 0.00 O ATOM 506 CB GLU A 33 -17.852 1.070 2.169 1.00 0.00 C ATOM 507 CG GLU A 33 -18.268 2.491 2.520 1.00 0.00 C ATOM 508 CD GLU A 33 -17.562 3.030 3.747 1.00 0.00 C ATOM 509 OE1 GLU A 33 -16.474 3.627 3.607 1.00 0.00 O ATOM 510 OE2 GLU A 33 -18.111 2.881 4.861 1.00 0.00 O1- ATOM 0 H GLU A 33 -20.231 0.501 2.515 1.00 0.00 H new ATOM 0 HA GLU A 33 -18.656 1.061 0.179 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -17.905 0.451 3.065 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -16.811 1.073 1.845 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -18.060 3.144 1.672 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -19.345 2.517 2.687 1.00 0.00 H new ATOM 517 N LYS A 34 -18.706 -1.956 1.428 1.00 0.00 N ATOM 518 CA LYS A 34 -18.315 -3.334 1.172 1.00 0.00 C ATOM 519 C LYS A 34 -18.960 -3.825 -0.114 1.00 0.00 C ATOM 520 O LYS A 34 -18.426 -4.688 -0.807 1.00 0.00 O ATOM 521 CB LYS A 34 -18.714 -4.240 2.341 1.00 0.00 C ATOM 522 CG LYS A 34 -17.914 -3.985 3.605 1.00 0.00 C ATOM 523 CD LYS A 34 -18.239 -4.995 4.692 1.00 0.00 C ATOM 524 CE LYS A 34 -17.459 -4.710 5.966 1.00 0.00 C ATOM 525 NZ LYS A 34 -17.727 -5.717 7.028 1.00 0.00 N1+ ATOM 0 H LYS A 34 -19.385 -1.842 2.180 1.00 0.00 H new ATOM 0 HA LYS A 34 -17.231 -3.371 1.066 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -19.773 -4.097 2.556 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -18.586 -5.281 2.044 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -16.849 -4.028 3.376 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -18.122 -2.979 3.970 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -19.308 -4.971 4.905 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -18.007 -6.000 4.338 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -16.392 -4.697 5.741 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -17.719 -3.718 6.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -17.174 -5.482 7.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -18.740 -5.713 7.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -17.454 -6.661 6.688 1.00 0.00 H new ATOM 539 N ASP A 35 -20.097 -3.238 -0.436 1.00 0.00 N ATOM 540 CA ASP A 35 -20.864 -3.623 -1.605 1.00 0.00 C ATOM 541 C ASP A 35 -20.137 -3.241 -2.885 1.00 0.00 C ATOM 542 O ASP A 35 -20.142 -3.988 -3.862 1.00 0.00 O ATOM 543 CB ASP A 35 -22.235 -2.947 -1.549 1.00 0.00 C ATOM 544 CG ASP A 35 -23.151 -3.354 -2.684 1.00 0.00 C ATOM 545 OD1 ASP A 35 -23.850 -4.377 -2.553 1.00 0.00 O1- ATOM 546 OD2 ASP A 35 -23.192 -2.639 -3.705 1.00 0.00 O ATOM 0 H ASP A 35 -20.515 -2.481 0.105 1.00 0.00 H new ATOM 0 HA ASP A 35 -20.989 -4.706 -1.606 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -22.714 -3.190 -0.600 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -22.100 -1.866 -1.570 1.00 0.00 H new ATOM 551 N VAL A 36 -19.490 -2.089 -2.871 1.00 0.00 N ATOM 552 CA VAL A 36 -18.811 -1.593 -4.057 1.00 0.00 C ATOM 553 C VAL A 36 -17.410 -2.185 -4.187 1.00 0.00 C ATOM 554 O VAL A 36 -16.859 -2.247 -5.280 1.00 0.00 O ATOM 555 CB VAL A 36 -18.724 -0.053 -4.052 1.00 0.00 C ATOM 556 CG1 VAL A 36 -20.112 0.556 -3.947 1.00 0.00 C ATOM 557 CG2 VAL A 36 -17.836 0.440 -2.920 1.00 0.00 C ATOM 0 H VAL A 36 -19.420 -1.481 -2.055 1.00 0.00 H new ATOM 0 HA VAL A 36 -19.404 -1.908 -4.915 1.00 0.00 H new ATOM 0 HB VAL A 36 -18.275 0.265 -4.993 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -20.033 1.643 -3.945 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -20.714 0.238 -4.798 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -20.586 0.225 -3.023 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -17.792 1.529 -2.940 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -18.247 0.111 -1.966 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -16.832 0.034 -3.042 1.00 0.00 H new ATOM 567 N LEU A 37 -16.838 -2.621 -3.070 1.00 0.00 N ATOM 568 CA LEU A 37 -15.477 -3.146 -3.073 1.00 0.00 C ATOM 569 C LEU A 37 -15.461 -4.660 -3.221 1.00 0.00 C ATOM 570 O LEU A 37 -14.763 -5.199 -4.077 1.00 0.00 O ATOM 571 CB LEU A 37 -14.749 -2.729 -1.798 1.00 0.00 C ATOM 572 CG LEU A 37 -14.719 -1.223 -1.548 1.00 0.00 C ATOM 573 CD1 LEU A 37 -13.931 -0.903 -0.294 1.00 0.00 C ATOM 574 CD2 LEU A 37 -14.141 -0.487 -2.746 1.00 0.00 C ATOM 0 H LEU A 37 -17.292 -2.622 -2.156 1.00 0.00 H new ATOM 0 HA LEU A 37 -14.959 -2.725 -3.934 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -15.225 -3.216 -0.947 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -13.724 -3.097 -1.843 1.00 0.00 H new ATOM 0 HG LEU A 37 -15.745 -0.884 -1.403 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -13.922 0.175 -0.135 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -14.395 -1.392 0.562 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -12.908 -1.261 -0.406 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -14.130 0.584 -2.544 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -13.123 -0.832 -2.929 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -14.755 -0.684 -3.625 1.00 0.00 H new ATOM 586 N PHE A 38 -16.235 -5.349 -2.396 1.00 0.00 N ATOM 587 CA PHE A 38 -16.299 -6.805 -2.467 1.00 0.00 C ATOM 588 C PHE A 38 -17.215 -7.225 -3.598 1.00 0.00 C ATOM 589 O PHE A 38 -17.103 -8.326 -4.135 1.00 0.00 O ATOM 590 CB PHE A 38 -16.800 -7.401 -1.154 1.00 0.00 C ATOM 591 CG PHE A 38 -15.857 -7.220 -0.005 1.00 0.00 C ATOM 592 CD1 PHE A 38 -15.888 -6.065 0.754 1.00 0.00 C ATOM 593 CD2 PHE A 38 -14.949 -8.211 0.320 1.00 0.00 C ATOM 594 CE1 PHE A 38 -15.026 -5.897 1.818 1.00 0.00 C ATOM 595 CE2 PHE A 38 -14.085 -8.052 1.384 1.00 0.00 C ATOM 596 CZ PHE A 38 -14.124 -6.893 2.136 1.00 0.00 C ATOM 0 H PHE A 38 -16.823 -4.931 -1.675 1.00 0.00 H new ATOM 0 HA PHE A 38 -15.292 -7.179 -2.651 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -17.757 -6.944 -0.901 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -16.983 -8.466 -1.297 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -16.595 -5.285 0.511 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -14.916 -9.118 -0.265 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -15.057 -4.988 2.401 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -13.379 -8.832 1.629 1.00 0.00 H new ATOM 0 HZ PHE A 38 -13.450 -6.767 2.971 1.00 0.00 H new ATOM 606 N GLY A 39 -18.109 -6.323 -3.968 1.00 0.00 N ATOM 607 CA GLY A 39 -19.047 -6.598 -5.034 1.00 0.00 C ATOM 608 C GLY A 39 -18.457 -6.318 -6.399 1.00 0.00 C ATOM 609 O GLY A 39 -19.145 -6.423 -7.415 1.00 0.00 O ATOM 0 H GLY A 39 -18.202 -5.399 -3.546 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -19.359 -7.641 -4.982 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -19.941 -5.991 -4.895 1.00 0.00 H new ATOM 613 N SER A 40 -17.181 -5.967 -6.427 1.00 0.00 N ATOM 614 CA SER A 40 -16.493 -5.678 -7.675 1.00 0.00 C ATOM 615 C SER A 40 -15.308 -6.616 -7.859 1.00 0.00 C ATOM 616 O SER A 40 -14.338 -6.513 -7.081 1.00 0.00 O ATOM 617 CB SER A 40 -16.031 -4.223 -7.708 1.00 0.00 C ATOM 618 OG SER A 40 -17.138 -3.337 -7.637 1.00 0.00 O ATOM 619 OXT SER A 40 -15.347 -7.450 -8.793 1.00 0.00 O ATOM 0 H SER A 40 -16.598 -5.875 -5.595 1.00 0.00 H new ATOM 0 HA SER A 40 -17.191 -5.837 -8.497 1.00 0.00 H new ATOM 0 HB2 SER A 40 -15.355 -4.033 -6.875 1.00 0.00 H new ATOM 0 HB3 SER A 40 -15.469 -4.037 -8.623 1.00 0.00 H new ATOM 0 HG SER A 40 -16.962 -2.647 -6.964 1.00 0.00 H new TER 625 SER A 40 ATOM 626 N MET B 41 0.056 13.980 9.171 1.00 0.00 N ATOM 627 CA MET B 41 -1.248 13.700 9.817 1.00 0.00 C ATOM 628 C MET B 41 -1.237 12.302 10.412 1.00 0.00 C ATOM 629 O MET B 41 -0.369 11.496 10.070 1.00 0.00 O ATOM 630 CB MET B 41 -2.387 13.818 8.805 1.00 0.00 C ATOM 631 CG MET B 41 -2.434 15.155 8.091 1.00 0.00 C ATOM 632 SD MET B 41 -2.551 16.549 9.227 1.00 0.00 S ATOM 633 CE MET B 41 -2.712 17.899 8.061 1.00 0.00 C ATOM 0 HA MET B 41 -1.407 14.432 10.608 1.00 0.00 H new ATOM 0 HB2 MET B 41 -2.287 13.024 8.065 1.00 0.00 H new ATOM 0 HB3 MET B 41 -3.335 13.657 9.318 1.00 0.00 H new ATOM 0 HG2 MET B 41 -1.540 15.266 7.478 1.00 0.00 H new ATOM 0 HG3 MET B 41 -3.288 15.171 7.414 1.00 0.00 H new ATOM 0 HE1 MET B 41 -2.796 18.841 8.604 1.00 0.00 H new ATOM 0 HE2 MET B 41 -1.834 17.929 7.416 1.00 0.00 H new ATOM 0 HE3 MET B 41 -3.604 17.750 7.453 1.00 0.00 H new ATOM 645 N ASN B 42 -2.188 12.026 11.309 1.00 0.00 N ATOM 646 CA ASN B 42 -2.305 10.712 11.946 1.00 0.00 C ATOM 647 C ASN B 42 -1.013 10.347 12.666 1.00 0.00 C ATOM 648 O ASN B 42 -0.241 11.223 13.065 1.00 0.00 O ATOM 649 CB ASN B 42 -2.679 9.643 10.910 1.00 0.00 C ATOM 650 CG ASN B 42 -4.050 9.892 10.305 1.00 0.00 C ATOM 651 OD1 ASN B 42 -4.189 10.595 9.304 1.00 0.00 O ATOM 652 ND2 ASN B 42 -5.075 9.315 10.911 1.00 0.00 N ATOM 0 H ASN B 42 -2.892 12.700 11.611 1.00 0.00 H new ATOM 0 HA ASN B 42 -3.102 10.758 12.688 1.00 0.00 H new ATOM 0 HB2 ASN B 42 -1.930 9.628 10.118 1.00 0.00 H new ATOM 0 HB3 ASN B 42 -2.664 8.660 11.381 1.00 0.00 H new ATOM 0 HD21 ASN B 42 -6.020 9.446 10.551 1.00 0.00 H new ATOM 0 HD22 ASN B 42 -4.920 8.739 11.739 1.00 0.00 H new ATOM 659 N LYS B 43 -0.790 9.062 12.851 1.00 0.00 N ATOM 660 CA LYS B 43 0.422 8.584 13.503 1.00 0.00 C ATOM 661 C LYS B 43 1.588 8.651 12.524 1.00 0.00 C ATOM 662 O LYS B 43 1.427 9.066 11.376 1.00 0.00 O ATOM 663 CB LYS B 43 0.249 7.149 14.037 1.00 0.00 C ATOM 664 CG LYS B 43 -0.917 6.982 15.007 1.00 0.00 C ATOM 665 CD LYS B 43 -2.239 6.779 14.280 1.00 0.00 C ATOM 666 CE LYS B 43 -3.432 7.060 15.177 1.00 0.00 C ATOM 667 NZ LYS B 43 -3.525 6.111 16.318 1.00 0.00 N1+ ATOM 0 H LYS B 43 -1.431 8.324 12.560 1.00 0.00 H new ATOM 0 HA LYS B 43 0.628 9.227 14.358 1.00 0.00 H new ATOM 0 HB2 LYS B 43 0.106 6.474 13.194 1.00 0.00 H new ATOM 0 HB3 LYS B 43 1.169 6.845 14.536 1.00 0.00 H new ATOM 0 HG2 LYS B 43 -0.727 6.129 15.659 1.00 0.00 H new ATOM 0 HG3 LYS B 43 -0.986 7.862 15.646 1.00 0.00 H new ATOM 0 HD2 LYS B 43 -2.278 7.434 13.410 1.00 0.00 H new ATOM 0 HD3 LYS B 43 -2.296 5.755 13.911 1.00 0.00 H new ATOM 0 HE2 LYS B 43 -3.362 8.078 15.561 1.00 0.00 H new ATOM 0 HE3 LYS B 43 -4.347 7.004 14.587 1.00 0.00 H new ATOM 0 HZ1 LYS B 43 -4.365 6.336 16.889 1.00 0.00 H new ATOM 0 HZ2 LYS B 43 -3.602 5.139 15.956 1.00 0.00 H new ATOM 0 HZ3 LYS B 43 -2.673 6.194 16.909 1.00 0.00 H new ATOM 681 N THR B 44 2.758 8.252 12.976 1.00 0.00 N ATOM 682 CA THR B 44 3.944 8.323 12.152 1.00 0.00 C ATOM 683 C THR B 44 4.448 6.940 11.790 1.00 0.00 C ATOM 684 O THR B 44 4.101 5.949 12.440 1.00 0.00 O ATOM 685 CB THR B 44 5.054 9.107 12.860 1.00 0.00 C ATOM 686 OG1 THR B 44 5.082 8.772 14.255 1.00 0.00 O ATOM 687 CG2 THR B 44 4.844 10.598 12.684 1.00 0.00 C ATOM 0 H THR B 44 2.912 7.875 13.911 1.00 0.00 H new ATOM 0 HA THR B 44 3.670 8.844 11.234 1.00 0.00 H new ATOM 0 HB THR B 44 6.011 8.837 12.413 1.00 0.00 H new ATOM 0 HG1 THR B 44 5.796 9.277 14.698 1.00 0.00 H new ATOM 0 HG21 THR B 44 5.641 11.140 13.193 1.00 0.00 H new ATOM 0 HG22 THR B 44 4.858 10.845 11.622 1.00 0.00 H new ATOM 0 HG23 THR B 44 3.882 10.883 13.110 1.00 0.00 H new ATOM 695 N LEU B 45 5.263 6.880 10.752 1.00 0.00 N ATOM 696 CA LEU B 45 5.812 5.621 10.288 1.00 0.00 C ATOM 697 C LEU B 45 6.963 5.182 11.169 1.00 0.00 C ATOM 698 O LEU B 45 7.381 5.899 12.080 1.00 0.00 O ATOM 699 CB LEU B 45 6.271 5.725 8.834 1.00 0.00 C ATOM 700 CG LEU B 45 5.175 6.100 7.844 1.00 0.00 C ATOM 701 CD1 LEU B 45 5.679 5.990 6.417 1.00 0.00 C ATOM 702 CD2 LEU B 45 3.965 5.215 8.050 1.00 0.00 C ATOM 0 H LEU B 45 5.560 7.693 10.213 1.00 0.00 H new ATOM 0 HA LEU B 45 5.022 4.872 10.346 1.00 0.00 H new ATOM 0 HB2 LEU B 45 7.067 6.467 8.771 1.00 0.00 H new ATOM 0 HB3 LEU B 45 6.701 4.769 8.534 1.00 0.00 H new ATOM 0 HG LEU B 45 4.886 7.136 8.021 1.00 0.00 H new ATOM 0 HD11 LEU B 45 4.880 6.262 5.727 1.00 0.00 H new ATOM 0 HD12 LEU B 45 6.525 6.663 6.277 1.00 0.00 H new ATOM 0 HD13 LEU B 45 5.995 4.965 6.221 1.00 0.00 H new ATOM 0 HD21 LEU B 45 3.187 5.491 7.338 1.00 0.00 H new ATOM 0 HD22 LEU B 45 4.246 4.173 7.896 1.00 0.00 H new ATOM 0 HD23 LEU B 45 3.589 5.343 9.065 1.00 0.00 H new ATOM 714 N LYS B 46 7.468 4.001 10.890 1.00 0.00 N ATOM 715 CA LYS B 46 8.476 3.383 11.719 1.00 0.00 C ATOM 716 C LYS B 46 9.859 3.622 11.142 1.00 0.00 C ATOM 717 O LYS B 46 10.824 3.837 11.876 1.00 0.00 O ATOM 718 CB LYS B 46 8.166 1.907 11.833 1.00 0.00 C ATOM 719 CG LYS B 46 6.820 1.671 12.490 1.00 0.00 C ATOM 720 CD LYS B 46 6.204 0.373 12.041 1.00 0.00 C ATOM 721 CE LYS B 46 7.051 -0.814 12.471 1.00 0.00 C ATOM 722 NZ LYS B 46 6.386 -2.106 12.178 1.00 0.00 N1+ ATOM 0 H LYS B 46 7.191 3.443 10.082 1.00 0.00 H new ATOM 0 HA LYS B 46 8.467 3.825 12.715 1.00 0.00 H new ATOM 0 HB2 LYS B 46 8.172 1.455 10.841 1.00 0.00 H new ATOM 0 HB3 LYS B 46 8.946 1.414 12.413 1.00 0.00 H new ATOM 0 HG2 LYS B 46 6.940 1.662 13.573 1.00 0.00 H new ATOM 0 HG3 LYS B 46 6.148 2.495 12.251 1.00 0.00 H new ATOM 0 HD2 LYS B 46 5.202 0.279 12.459 1.00 0.00 H new ATOM 0 HD3 LYS B 46 6.098 0.374 10.956 1.00 0.00 H new ATOM 0 HE2 LYS B 46 8.013 -0.777 11.960 1.00 0.00 H new ATOM 0 HE3 LYS B 46 7.255 -0.746 13.539 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 7.081 -2.877 12.245 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 5.622 -2.267 12.865 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 5.988 -2.082 11.218 1.00 0.00 H new ATOM 736 N THR B 47 9.952 3.583 9.823 1.00 0.00 N ATOM 737 CA THR B 47 11.173 3.972 9.147 1.00 0.00 C ATOM 738 C THR B 47 11.178 5.483 8.949 1.00 0.00 C ATOM 739 O THR B 47 10.269 6.045 8.338 1.00 0.00 O ATOM 740 CB THR B 47 11.321 3.277 7.782 1.00 0.00 C ATOM 741 OG1 THR B 47 11.303 1.853 7.948 1.00 0.00 O ATOM 742 CG2 THR B 47 12.619 3.694 7.113 1.00 0.00 C ATOM 0 H THR B 47 9.198 3.287 9.203 1.00 0.00 H new ATOM 0 HA THR B 47 12.014 3.665 9.769 1.00 0.00 H new ATOM 0 HB THR B 47 10.484 3.577 7.151 1.00 0.00 H new ATOM 0 HG1 THR B 47 10.433 1.576 8.303 1.00 0.00 H new ATOM 0 HG21 THR B 47 12.708 3.194 6.149 1.00 0.00 H new ATOM 0 HG22 THR B 47 12.621 4.774 6.963 1.00 0.00 H new ATOM 0 HG23 THR B 47 13.461 3.414 7.746 1.00 0.00 H new ATOM 750 N LYS B 48 12.208 6.133 9.476 1.00 0.00 N ATOM 751 CA LYS B 48 12.298 7.589 9.464 1.00 0.00 C ATOM 752 C LYS B 48 12.380 8.128 8.040 1.00 0.00 C ATOM 753 O LYS B 48 11.859 9.204 7.741 1.00 0.00 O ATOM 754 CB LYS B 48 13.518 8.035 10.263 1.00 0.00 C ATOM 755 CG LYS B 48 13.606 9.543 10.474 1.00 0.00 C ATOM 756 CD LYS B 48 12.406 10.091 11.237 1.00 0.00 C ATOM 757 CE LYS B 48 12.349 9.561 12.661 1.00 0.00 C ATOM 758 NZ LYS B 48 11.164 10.075 13.394 1.00 0.00 N1+ ATOM 0 H LYS B 48 13.000 5.670 9.921 1.00 0.00 H new ATOM 0 HA LYS B 48 11.394 7.991 9.922 1.00 0.00 H new ATOM 0 HB2 LYS B 48 13.502 7.543 11.236 1.00 0.00 H new ATOM 0 HB3 LYS B 48 14.418 7.697 9.750 1.00 0.00 H new ATOM 0 HG2 LYS B 48 14.519 9.779 11.020 1.00 0.00 H new ATOM 0 HG3 LYS B 48 13.676 10.040 9.506 1.00 0.00 H new ATOM 0 HD2 LYS B 48 12.455 11.180 11.257 1.00 0.00 H new ATOM 0 HD3 LYS B 48 11.489 9.822 10.713 1.00 0.00 H new ATOM 0 HE2 LYS B 48 12.320 8.472 12.642 1.00 0.00 H new ATOM 0 HE3 LYS B 48 13.257 9.847 13.192 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 11.160 9.691 14.361 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 11.204 11.113 13.434 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 10.297 9.781 12.902 1.00 0.00 H new ATOM 772 N ALA B 49 13.047 7.381 7.170 1.00 0.00 N ATOM 773 CA ALA B 49 13.137 7.746 5.764 1.00 0.00 C ATOM 774 C ALA B 49 11.755 7.743 5.123 1.00 0.00 C ATOM 775 O ALA B 49 11.455 8.576 4.273 1.00 0.00 O ATOM 776 CB ALA B 49 14.065 6.794 5.027 1.00 0.00 C ATOM 0 H ALA B 49 13.534 6.518 7.414 1.00 0.00 H new ATOM 0 HA ALA B 49 13.548 8.753 5.695 1.00 0.00 H new ATOM 0 HB1 ALA B 49 14.121 7.081 3.977 1.00 0.00 H new ATOM 0 HB2 ALA B 49 15.060 6.840 5.470 1.00 0.00 H new ATOM 0 HB3 ALA B 49 13.680 5.777 5.105 1.00 0.00 H new ATOM 782 N PHE B 50 10.914 6.814 5.563 1.00 0.00 N ATOM 783 CA PHE B 50 9.566 6.668 5.027 1.00 0.00 C ATOM 784 C PHE B 50 8.625 7.708 5.621 1.00 0.00 C ATOM 785 O PHE B 50 7.849 8.338 4.899 1.00 0.00 O ATOM 786 CB PHE B 50 9.017 5.268 5.325 1.00 0.00 C ATOM 787 CG PHE B 50 9.580 4.168 4.463 1.00 0.00 C ATOM 788 CD1 PHE B 50 10.820 4.290 3.855 1.00 0.00 C ATOM 789 CD2 PHE B 50 8.856 3.004 4.270 1.00 0.00 C ATOM 790 CE1 PHE B 50 11.327 3.271 3.069 1.00 0.00 C ATOM 791 CE2 PHE B 50 9.357 1.981 3.486 1.00 0.00 C ATOM 792 CZ PHE B 50 10.594 2.115 2.884 1.00 0.00 C ATOM 0 H PHE B 50 11.145 6.145 6.297 1.00 0.00 H new ATOM 0 HA PHE B 50 9.624 6.816 3.949 1.00 0.00 H new ATOM 0 HB2 PHE B 50 9.218 5.030 6.370 1.00 0.00 H new ATOM 0 HB3 PHE B 50 7.934 5.285 5.205 1.00 0.00 H new ATOM 0 HD1 PHE B 50 11.397 5.192 3.997 1.00 0.00 H new ATOM 0 HD2 PHE B 50 7.889 2.894 4.737 1.00 0.00 H new ATOM 0 HE1 PHE B 50 12.294 3.379 2.601 1.00 0.00 H new ATOM 0 HE2 PHE B 50 8.782 1.078 3.344 1.00 0.00 H new ATOM 0 HZ PHE B 50 10.987 1.318 2.270 1.00 0.00 H new ATOM 802 N ASP B 51 8.706 7.882 6.941 1.00 0.00 N ATOM 803 CA ASP B 51 7.814 8.796 7.658 1.00 0.00 C ATOM 804 C ASP B 51 7.916 10.202 7.091 1.00 0.00 C ATOM 805 O ASP B 51 6.924 10.931 7.023 1.00 0.00 O ATOM 806 CB ASP B 51 8.145 8.824 9.150 1.00 0.00 C ATOM 807 CG ASP B 51 7.173 9.684 9.929 1.00 0.00 C ATOM 808 OD1 ASP B 51 5.954 9.414 9.864 1.00 0.00 O1- ATOM 809 OD2 ASP B 51 7.621 10.636 10.601 1.00 0.00 O ATOM 0 H ASP B 51 9.381 7.402 7.536 1.00 0.00 H new ATOM 0 HA ASP B 51 6.795 8.431 7.529 1.00 0.00 H new ATOM 0 HB2 ASP B 51 8.127 7.808 9.545 1.00 0.00 H new ATOM 0 HB3 ASP B 51 9.157 9.203 9.290 1.00 0.00 H new ATOM 814 N ASP B 52 9.123 10.556 6.670 1.00 0.00 N ATOM 815 CA ASP B 52 9.394 11.859 6.079 1.00 0.00 C ATOM 816 C ASP B 52 8.400 12.175 4.967 1.00 0.00 C ATOM 817 O ASP B 52 7.727 13.203 5.006 1.00 0.00 O ATOM 818 CB ASP B 52 10.823 11.897 5.531 1.00 0.00 C ATOM 819 CG ASP B 52 11.167 13.224 4.883 1.00 0.00 C ATOM 820 OD1 ASP B 52 11.654 14.128 5.595 1.00 0.00 O1- ATOM 821 OD2 ASP B 52 10.977 13.360 3.658 1.00 0.00 O ATOM 0 H ASP B 52 9.940 9.949 6.729 1.00 0.00 H new ATOM 0 HA ASP B 52 9.285 12.615 6.857 1.00 0.00 H new ATOM 0 HB2 ASP B 52 11.524 11.701 6.342 1.00 0.00 H new ATOM 0 HB3 ASP B 52 10.949 11.097 4.801 1.00 0.00 H new ATOM 826 N ILE B 53 8.282 11.273 4.000 1.00 0.00 N ATOM 827 CA ILE B 53 7.401 11.492 2.858 1.00 0.00 C ATOM 828 C ILE B 53 5.943 11.525 3.295 1.00 0.00 C ATOM 829 O ILE B 53 5.167 12.349 2.818 1.00 0.00 O ATOM 830 CB ILE B 53 7.566 10.407 1.771 1.00 0.00 C ATOM 831 CG1 ILE B 53 9.013 10.336 1.281 1.00 0.00 C ATOM 832 CG2 ILE B 53 6.628 10.668 0.598 1.00 0.00 C ATOM 833 CD1 ILE B 53 9.796 9.189 1.870 1.00 0.00 C ATOM 0 H ILE B 53 8.784 10.385 3.983 1.00 0.00 H new ATOM 0 HA ILE B 53 7.687 12.454 2.434 1.00 0.00 H new ATOM 0 HB ILE B 53 7.306 9.448 2.219 1.00 0.00 H new ATOM 0 HG12 ILE B 53 9.016 10.246 0.195 1.00 0.00 H new ATOM 0 HG13 ILE B 53 9.516 11.271 1.525 1.00 0.00 H new ATOM 0 HG21 ILE B 53 6.762 9.891 -0.155 1.00 0.00 H new ATOM 0 HG22 ILE B 53 5.596 10.659 0.949 1.00 0.00 H new ATOM 0 HG23 ILE B 53 6.854 11.640 0.160 1.00 0.00 H new ATOM 0 HD11 ILE B 53 10.813 9.203 1.477 1.00 0.00 H new ATOM 0 HD12 ILE B 53 9.825 9.288 2.955 1.00 0.00 H new ATOM 0 HD13 ILE B 53 9.317 8.247 1.604 1.00 0.00 H new ATOM 845 N TYR B 54 5.581 10.641 4.217 1.00 0.00 N ATOM 846 CA TYR B 54 4.198 10.539 4.669 1.00 0.00 C ATOM 847 C TYR B 54 3.723 11.853 5.284 1.00 0.00 C ATOM 848 O TYR B 54 2.589 12.278 5.062 1.00 0.00 O ATOM 849 CB TYR B 54 4.041 9.398 5.679 1.00 0.00 C ATOM 850 CG TYR B 54 2.604 9.152 6.084 1.00 0.00 C ATOM 851 CD1 TYR B 54 1.728 8.500 5.227 1.00 0.00 C ATOM 852 CD2 TYR B 54 2.119 9.584 7.312 1.00 0.00 C ATOM 853 CE1 TYR B 54 0.412 8.282 5.582 1.00 0.00 C ATOM 854 CE2 TYR B 54 0.802 9.372 7.674 1.00 0.00 C ATOM 855 CZ TYR B 54 -0.047 8.720 6.804 1.00 0.00 C ATOM 856 OH TYR B 54 -1.361 8.504 7.157 1.00 0.00 O ATOM 0 H TYR B 54 6.223 9.987 4.665 1.00 0.00 H new ATOM 0 HA TYR B 54 3.579 10.324 3.798 1.00 0.00 H new ATOM 0 HB2 TYR B 54 4.452 8.484 5.251 1.00 0.00 H new ATOM 0 HB3 TYR B 54 4.628 9.626 6.569 1.00 0.00 H new ATOM 0 HD1 TYR B 54 2.082 8.157 4.266 1.00 0.00 H new ATOM 0 HD2 TYR B 54 2.782 10.094 7.995 1.00 0.00 H new ATOM 0 HE1 TYR B 54 -0.255 7.770 4.904 1.00 0.00 H new ATOM 0 HE2 TYR B 54 0.440 9.715 8.632 1.00 0.00 H new ATOM 0 HH TYR B 54 -1.684 7.684 6.729 1.00 0.00 H new ATOM 866 N GLN B 55 4.596 12.505 6.041 1.00 0.00 N ATOM 867 CA GLN B 55 4.240 13.755 6.697 1.00 0.00 C ATOM 868 C GLN B 55 4.414 14.930 5.741 1.00 0.00 C ATOM 869 O GLN B 55 3.836 15.998 5.944 1.00 0.00 O ATOM 870 CB GLN B 55 5.092 13.979 7.950 1.00 0.00 C ATOM 871 CG GLN B 55 5.138 12.789 8.901 1.00 0.00 C ATOM 872 CD GLN B 55 3.768 12.269 9.293 1.00 0.00 C ATOM 873 OE1 GLN B 55 2.784 13.014 9.332 1.00 0.00 O ATOM 874 NE2 GLN B 55 3.699 10.988 9.617 1.00 0.00 N ATOM 0 H GLN B 55 5.551 12.191 6.215 1.00 0.00 H new ATOM 0 HA GLN B 55 3.193 13.688 6.994 1.00 0.00 H new ATOM 0 HB2 GLN B 55 6.109 14.224 7.644 1.00 0.00 H new ATOM 0 HB3 GLN B 55 4.704 14.844 8.488 1.00 0.00 H new ATOM 0 HG2 GLN B 55 5.703 11.983 8.433 1.00 0.00 H new ATOM 0 HG3 GLN B 55 5.680 13.076 9.802 1.00 0.00 H new ATOM 0 HE21 GLN B 55 4.535 10.405 9.572 1.00 0.00 H new ATOM 0 HE22 GLN B 55 2.810 10.584 9.912 1.00 0.00 H new ATOM 883 N ASN B 56 5.197 14.721 4.689 1.00 0.00 N ATOM 884 CA ASN B 56 5.520 15.787 3.746 1.00 0.00 C ATOM 885 C ASN B 56 4.808 15.608 2.413 1.00 0.00 C ATOM 886 O ASN B 56 5.271 16.106 1.385 1.00 0.00 O ATOM 887 CB ASN B 56 7.032 15.855 3.512 1.00 0.00 C ATOM 888 CG ASN B 56 7.767 16.544 4.645 1.00 0.00 C ATOM 889 OD1 ASN B 56 7.978 17.758 4.616 1.00 0.00 O ATOM 890 ND2 ASN B 56 8.158 15.781 5.650 1.00 0.00 N ATOM 0 H ASN B 56 5.621 13.821 4.467 1.00 0.00 H new ATOM 0 HA ASN B 56 5.174 16.720 4.190 1.00 0.00 H new ATOM 0 HB2 ASN B 56 7.423 14.845 3.391 1.00 0.00 H new ATOM 0 HB3 ASN B 56 7.228 16.386 2.581 1.00 0.00 H new ATOM 0 HD21 ASN B 56 8.654 16.193 6.440 1.00 0.00 H new ATOM 0 HD22 ASN B 56 7.964 14.780 5.636 1.00 0.00 H new ATOM 897 N SER B 57 3.691 14.900 2.418 1.00 0.00 N ATOM 898 CA SER B 57 2.925 14.705 1.202 1.00 0.00 C ATOM 899 C SER B 57 1.435 14.632 1.509 1.00 0.00 C ATOM 900 O SER B 57 0.916 13.583 1.891 1.00 0.00 O ATOM 901 CB SER B 57 3.377 13.437 0.478 1.00 0.00 C ATOM 902 OG SER B 57 2.754 13.329 -0.790 1.00 0.00 O ATOM 0 H SER B 57 3.297 14.454 3.246 1.00 0.00 H new ATOM 0 HA SER B 57 3.103 15.560 0.550 1.00 0.00 H new ATOM 0 HB2 SER B 57 4.460 13.450 0.356 1.00 0.00 H new ATOM 0 HB3 SER B 57 3.135 12.563 1.082 1.00 0.00 H new ATOM 0 HG SER B 57 3.403 12.998 -1.446 1.00 0.00 H new ATOM 908 N ALA B 58 0.752 15.753 1.334 1.00 0.00 N ATOM 909 CA ALA B 58 -0.686 15.813 1.536 1.00 0.00 C ATOM 910 C ALA B 58 -1.410 15.085 0.410 1.00 0.00 C ATOM 911 O ALA B 58 -2.529 14.601 0.586 1.00 0.00 O ATOM 912 CB ALA B 58 -1.149 17.259 1.624 1.00 0.00 C ATOM 0 H ALA B 58 1.174 16.637 1.051 1.00 0.00 H new ATOM 0 HA ALA B 58 -0.927 15.318 2.477 1.00 0.00 H new ATOM 0 HB1 ALA B 58 -2.228 17.287 1.775 1.00 0.00 H new ATOM 0 HB2 ALA B 58 -0.652 17.750 2.461 1.00 0.00 H new ATOM 0 HB3 ALA B 58 -0.899 17.778 0.699 1.00 0.00 H new ATOM 918 N GLU B 59 -0.753 14.997 -0.742 1.00 0.00 N ATOM 919 CA GLU B 59 -1.312 14.303 -1.894 1.00 0.00 C ATOM 920 C GLU B 59 -1.332 12.801 -1.643 1.00 0.00 C ATOM 921 O GLU B 59 -2.270 12.106 -2.020 1.00 0.00 O ATOM 922 CB GLU B 59 -0.487 14.601 -3.144 1.00 0.00 C ATOM 923 CG GLU B 59 -0.363 16.079 -3.461 1.00 0.00 C ATOM 924 CD GLU B 59 -1.696 16.722 -3.775 1.00 0.00 C ATOM 925 OE1 GLU B 59 -2.260 16.432 -4.852 1.00 0.00 O ATOM 926 OE2 GLU B 59 -2.181 17.527 -2.953 1.00 0.00 O1- ATOM 0 H GLU B 59 0.170 15.400 -0.902 1.00 0.00 H new ATOM 0 HA GLU B 59 -2.332 14.655 -2.048 1.00 0.00 H new ATOM 0 HB2 GLU B 59 0.511 14.182 -3.017 1.00 0.00 H new ATOM 0 HB3 GLU B 59 -0.940 14.094 -3.996 1.00 0.00 H new ATOM 0 HG2 GLU B 59 0.092 16.591 -2.613 1.00 0.00 H new ATOM 0 HG3 GLU B 59 0.308 16.209 -4.310 1.00 0.00 H new ATOM 933 N LEU B 60 -0.278 12.314 -1.008 1.00 0.00 N ATOM 934 CA LEU B 60 -0.180 10.907 -0.649 1.00 0.00 C ATOM 935 C LEU B 60 -1.094 10.620 0.543 1.00 0.00 C ATOM 936 O LEU B 60 -1.688 9.547 0.647 1.00 0.00 O ATOM 937 CB LEU B 60 1.290 10.573 -0.333 1.00 0.00 C ATOM 938 CG LEU B 60 1.670 9.087 -0.234 1.00 0.00 C ATOM 939 CD1 LEU B 60 1.273 8.500 1.109 1.00 0.00 C ATOM 940 CD2 LEU B 60 1.043 8.295 -1.371 1.00 0.00 C ATOM 0 H LEU B 60 0.526 12.876 -0.729 1.00 0.00 H new ATOM 0 HA LEU B 60 -0.505 10.276 -1.477 1.00 0.00 H new ATOM 0 HB2 LEU B 60 1.913 11.030 -1.102 1.00 0.00 H new ATOM 0 HB3 LEU B 60 1.549 11.051 0.612 1.00 0.00 H new ATOM 0 HG LEU B 60 2.754 9.017 -0.319 1.00 0.00 H new ATOM 0 HD11 LEU B 60 1.556 7.448 1.144 1.00 0.00 H new ATOM 0 HD12 LEU B 60 1.782 9.040 1.907 1.00 0.00 H new ATOM 0 HD13 LEU B 60 0.195 8.590 1.241 1.00 0.00 H new ATOM 0 HD21 LEU B 60 1.325 7.246 -1.282 1.00 0.00 H new ATOM 0 HD22 LEU B 60 -0.042 8.385 -1.322 1.00 0.00 H new ATOM 0 HD23 LEU B 60 1.397 8.686 -2.325 1.00 0.00 H new ATOM 952 N GLN B 61 -1.225 11.610 1.419 1.00 0.00 N ATOM 953 CA GLN B 61 -2.035 11.485 2.614 1.00 0.00 C ATOM 954 C GLN B 61 -3.513 11.337 2.270 1.00 0.00 C ATOM 955 O GLN B 61 -4.205 10.500 2.849 1.00 0.00 O ATOM 956 CB GLN B 61 -1.833 12.709 3.513 1.00 0.00 C ATOM 957 CG GLN B 61 -2.651 12.662 4.791 1.00 0.00 C ATOM 958 CD GLN B 61 -2.219 11.545 5.714 1.00 0.00 C ATOM 959 OE1 GLN B 61 -1.405 11.747 6.614 1.00 0.00 O ATOM 960 NE2 GLN B 61 -2.718 10.350 5.460 1.00 0.00 N ATOM 0 H GLN B 61 -0.772 12.518 1.317 1.00 0.00 H new ATOM 0 HA GLN B 61 -1.717 10.586 3.143 1.00 0.00 H new ATOM 0 HB2 GLN B 61 -0.777 12.791 3.770 1.00 0.00 H new ATOM 0 HB3 GLN B 61 -2.096 13.607 2.955 1.00 0.00 H new ATOM 0 HG2 GLN B 61 -2.560 13.615 5.312 1.00 0.00 H new ATOM 0 HG3 GLN B 61 -3.704 12.535 4.540 1.00 0.00 H new ATOM 0 HE21 GLN B 61 -3.391 10.229 4.703 1.00 0.00 H new ATOM 0 HE22 GLN B 61 -2.431 9.548 6.021 1.00 0.00 H new ATOM 969 N GLU B 62 -3.985 12.139 1.315 1.00 0.00 N ATOM 970 CA GLU B 62 -5.407 12.191 0.993 1.00 0.00 C ATOM 971 C GLU B 62 -5.908 10.845 0.479 1.00 0.00 C ATOM 972 O GLU B 62 -7.035 10.444 0.764 1.00 0.00 O ATOM 973 CB GLU B 62 -5.702 13.295 -0.031 1.00 0.00 C ATOM 974 CG GLU B 62 -5.134 13.036 -1.416 1.00 0.00 C ATOM 975 CD GLU B 62 -5.614 14.046 -2.437 1.00 0.00 C ATOM 976 OE1 GLU B 62 -5.321 15.250 -2.275 1.00 0.00 O ATOM 977 OE2 GLU B 62 -6.294 13.643 -3.407 1.00 0.00 O1- ATOM 0 H GLU B 62 -3.403 12.760 0.753 1.00 0.00 H new ATOM 0 HA GLU B 62 -5.941 12.424 1.914 1.00 0.00 H new ATOM 0 HB2 GLU B 62 -6.782 13.419 -0.112 1.00 0.00 H new ATOM 0 HB3 GLU B 62 -5.300 14.237 0.343 1.00 0.00 H new ATOM 0 HG2 GLU B 62 -4.045 13.061 -1.369 1.00 0.00 H new ATOM 0 HG3 GLU B 62 -5.417 12.034 -1.740 1.00 0.00 H new ATOM 984 N LEU B 63 -5.055 10.142 -0.252 1.00 0.00 N ATOM 985 CA LEU B 63 -5.410 8.844 -0.810 1.00 0.00 C ATOM 986 C LEU B 63 -5.646 7.835 0.307 1.00 0.00 C ATOM 987 O LEU B 63 -6.544 6.998 0.230 1.00 0.00 O ATOM 988 CB LEU B 63 -4.296 8.362 -1.737 1.00 0.00 C ATOM 989 CG LEU B 63 -3.943 9.331 -2.865 1.00 0.00 C ATOM 990 CD1 LEU B 63 -2.627 8.943 -3.509 1.00 0.00 C ATOM 991 CD2 LEU B 63 -5.052 9.377 -3.906 1.00 0.00 C ATOM 0 H LEU B 63 -4.108 10.450 -0.474 1.00 0.00 H new ATOM 0 HA LEU B 63 -6.332 8.942 -1.384 1.00 0.00 H new ATOM 0 HB2 LEU B 63 -3.402 8.176 -1.142 1.00 0.00 H new ATOM 0 HB3 LEU B 63 -4.592 7.408 -2.174 1.00 0.00 H new ATOM 0 HG LEU B 63 -3.837 10.327 -2.435 1.00 0.00 H new ATOM 0 HD11 LEU B 63 -2.393 9.645 -4.310 1.00 0.00 H new ATOM 0 HD12 LEU B 63 -1.834 8.968 -2.761 1.00 0.00 H new ATOM 0 HD13 LEU B 63 -2.706 7.937 -3.920 1.00 0.00 H new ATOM 0 HD21 LEU B 63 -4.778 10.073 -4.699 1.00 0.00 H new ATOM 0 HD22 LEU B 63 -5.195 8.383 -4.330 1.00 0.00 H new ATOM 0 HD23 LEU B 63 -5.978 9.708 -3.436 1.00 0.00 H new ATOM 1003 N LEU B 64 -4.859 7.949 1.366 1.00 0.00 N ATOM 1004 CA LEU B 64 -4.979 7.058 2.508 1.00 0.00 C ATOM 1005 C LEU B 64 -6.064 7.535 3.467 1.00 0.00 C ATOM 1006 O LEU B 64 -6.186 7.038 4.583 1.00 0.00 O ATOM 1007 CB LEU B 64 -3.641 6.943 3.235 1.00 0.00 C ATOM 1008 CG LEU B 64 -2.569 6.145 2.492 1.00 0.00 C ATOM 1009 CD1 LEU B 64 -1.225 6.313 3.171 1.00 0.00 C ATOM 1010 CD2 LEU B 64 -2.953 4.674 2.426 1.00 0.00 C ATOM 0 H LEU B 64 -4.127 8.654 1.457 1.00 0.00 H new ATOM 0 HA LEU B 64 -5.265 6.073 2.138 1.00 0.00 H new ATOM 0 HB2 LEU B 64 -3.260 7.947 3.424 1.00 0.00 H new ATOM 0 HB3 LEU B 64 -3.811 6.478 4.206 1.00 0.00 H new ATOM 0 HG LEU B 64 -2.493 6.527 1.474 1.00 0.00 H new ATOM 0 HD11 LEU B 64 -0.471 5.740 2.632 1.00 0.00 H new ATOM 0 HD12 LEU B 64 -0.947 7.367 3.172 1.00 0.00 H new ATOM 0 HD13 LEU B 64 -1.289 5.953 4.198 1.00 0.00 H new ATOM 0 HD21 LEU B 64 -2.180 4.120 1.894 1.00 0.00 H new ATOM 0 HD22 LEU B 64 -3.053 4.278 3.437 1.00 0.00 H new ATOM 0 HD23 LEU B 64 -3.902 4.569 1.900 1.00 0.00 H new ATOM 1022 N LYS B 65 -6.849 8.509 3.030 1.00 0.00 N ATOM 1023 CA LYS B 65 -7.989 8.965 3.809 1.00 0.00 C ATOM 1024 C LYS B 65 -9.265 8.340 3.257 1.00 0.00 C ATOM 1025 O LYS B 65 -10.352 8.531 3.801 1.00 0.00 O ATOM 1026 CB LYS B 65 -8.091 10.494 3.778 1.00 0.00 C ATOM 1027 CG LYS B 65 -6.839 11.210 4.271 1.00 0.00 C ATOM 1028 CD LYS B 65 -6.571 10.963 5.749 1.00 0.00 C ATOM 1029 CE LYS B 65 -7.612 11.638 6.629 1.00 0.00 C ATOM 1030 NZ LYS B 65 -7.334 11.437 8.075 1.00 0.00 N1+ ATOM 0 H LYS B 65 -6.718 8.997 2.144 1.00 0.00 H new ATOM 0 HA LYS B 65 -7.854 8.656 4.845 1.00 0.00 H new ATOM 0 HB2 LYS B 65 -8.301 10.813 2.757 1.00 0.00 H new ATOM 0 HB3 LYS B 65 -8.939 10.804 4.390 1.00 0.00 H new ATOM 0 HG2 LYS B 65 -5.980 10.876 3.688 1.00 0.00 H new ATOM 0 HG3 LYS B 65 -6.945 12.281 4.098 1.00 0.00 H new ATOM 0 HD2 LYS B 65 -6.569 9.891 5.944 1.00 0.00 H new ATOM 0 HD3 LYS B 65 -5.580 11.336 6.007 1.00 0.00 H new ATOM 0 HE2 LYS B 65 -7.635 12.705 6.409 1.00 0.00 H new ATOM 0 HE3 LYS B 65 -8.599 11.242 6.391 1.00 0.00 H new ATOM 0 HZ1 LYS B 65 -8.067 11.913 8.639 1.00 0.00 H new ATOM 0 HZ2 LYS B 65 -7.337 10.420 8.291 1.00 0.00 H new ATOM 0 HZ3 LYS B 65 -6.403 11.838 8.308 1.00 0.00 H new ATOM 1044 N TYR B 66 -9.118 7.595 2.166 1.00 0.00 N ATOM 1045 CA TYR B 66 -10.243 6.921 1.534 1.00 0.00 C ATOM 1046 C TYR B 66 -10.187 5.430 1.824 1.00 0.00 C ATOM 1047 O TYR B 66 -9.126 4.807 1.737 1.00 0.00 O ATOM 1048 CB TYR B 66 -10.215 7.151 0.024 1.00 0.00 C ATOM 1049 CG TYR B 66 -10.088 8.604 -0.365 1.00 0.00 C ATOM 1050 CD1 TYR B 66 -10.919 9.569 0.189 1.00 0.00 C ATOM 1051 CD2 TYR B 66 -9.131 9.008 -1.281 1.00 0.00 C ATOM 1052 CE1 TYR B 66 -10.797 10.899 -0.160 1.00 0.00 C ATOM 1053 CE2 TYR B 66 -9.002 10.336 -1.637 1.00 0.00 C ATOM 1054 CZ TYR B 66 -9.835 11.277 -1.072 1.00 0.00 C ATOM 1055 OH TYR B 66 -9.708 12.603 -1.422 1.00 0.00 O ATOM 0 H TYR B 66 -8.224 7.443 1.700 1.00 0.00 H new ATOM 0 HA TYR B 66 -11.168 7.331 1.940 1.00 0.00 H new ATOM 0 HB2 TYR B 66 -9.381 6.595 -0.404 1.00 0.00 H new ATOM 0 HB3 TYR B 66 -11.127 6.745 -0.414 1.00 0.00 H new ATOM 0 HD1 TYR B 66 -11.673 9.274 0.904 1.00 0.00 H new ATOM 0 HD2 TYR B 66 -8.475 8.273 -1.724 1.00 0.00 H new ATOM 0 HE1 TYR B 66 -11.451 11.638 0.279 1.00 0.00 H new ATOM 0 HE2 TYR B 66 -8.252 10.635 -2.354 1.00 0.00 H new ATOM 0 HH TYR B 66 -8.983 12.701 -2.074 1.00 0.00 H new ATOM 1065 N ASN B 67 -11.336 4.861 2.155 1.00 0.00 N ATOM 1066 CA ASN B 67 -11.418 3.453 2.524 1.00 0.00 C ATOM 1067 C ASN B 67 -11.279 2.549 1.309 1.00 0.00 C ATOM 1068 O ASN B 67 -10.925 1.383 1.443 1.00 0.00 O ATOM 1069 CB ASN B 67 -12.734 3.149 3.241 1.00 0.00 C ATOM 1070 CG ASN B 67 -12.787 3.713 4.646 1.00 0.00 C ATOM 1071 OD1 ASN B 67 -11.757 3.886 5.301 1.00 0.00 O ATOM 1072 ND2 ASN B 67 -13.989 3.980 5.128 1.00 0.00 N ATOM 0 H ASN B 67 -12.229 5.354 2.176 1.00 0.00 H new ATOM 0 HA ASN B 67 -10.589 3.252 3.202 1.00 0.00 H new ATOM 0 HB2 ASN B 67 -13.561 3.558 2.660 1.00 0.00 H new ATOM 0 HB3 ASN B 67 -12.877 2.069 3.283 1.00 0.00 H new ATOM 0 HD21 ASN B 67 -14.089 4.344 6.076 1.00 0.00 H new ATOM 0 HD22 ASN B 67 -14.816 3.822 4.552 1.00 0.00 H new ATOM 1079 N THR B 68 -11.536 3.090 0.124 1.00 0.00 N ATOM 1080 CA THR B 68 -11.437 2.317 -1.106 1.00 0.00 C ATOM 1081 C THR B 68 -9.980 2.026 -1.413 1.00 0.00 C ATOM 1082 O THR B 68 -9.600 0.906 -1.771 1.00 0.00 O ATOM 1083 CB THR B 68 -12.060 3.083 -2.294 1.00 0.00 C ATOM 1084 OG1 THR B 68 -13.458 3.303 -2.066 1.00 0.00 O ATOM 1085 CG2 THR B 68 -11.864 2.325 -3.600 1.00 0.00 C ATOM 0 H THR B 68 -11.815 4.062 -0.010 1.00 0.00 H new ATOM 0 HA THR B 68 -11.983 1.384 -0.964 1.00 0.00 H new ATOM 0 HB THR B 68 -11.553 4.044 -2.375 1.00 0.00 H new ATOM 0 HG1 THR B 68 -13.840 3.791 -2.825 1.00 0.00 H new ATOM 0 HG21 THR B 68 -12.313 2.888 -4.418 1.00 0.00 H new ATOM 0 HG22 THR B 68 -10.798 2.196 -3.790 1.00 0.00 H new ATOM 0 HG23 THR B 68 -12.340 1.347 -3.528 1.00 0.00 H new ATOM 1093 N VAL B 69 -9.172 3.055 -1.247 1.00 0.00 N ATOM 1094 CA VAL B 69 -7.749 2.971 -1.481 1.00 0.00 C ATOM 1095 C VAL B 69 -7.104 2.066 -0.445 1.00 0.00 C ATOM 1096 O VAL B 69 -6.444 1.081 -0.779 1.00 0.00 O ATOM 1097 CB VAL B 69 -7.118 4.368 -1.404 1.00 0.00 C ATOM 1098 CG1 VAL B 69 -5.651 4.324 -1.777 1.00 0.00 C ATOM 1099 CG2 VAL B 69 -7.874 5.334 -2.296 1.00 0.00 C ATOM 0 H VAL B 69 -9.489 3.976 -0.944 1.00 0.00 H new ATOM 0 HA VAL B 69 -7.583 2.557 -2.475 1.00 0.00 H new ATOM 0 HB VAL B 69 -7.187 4.720 -0.375 1.00 0.00 H new ATOM 0 HG11 VAL B 69 -5.229 5.327 -1.714 1.00 0.00 H new ATOM 0 HG12 VAL B 69 -5.121 3.664 -1.091 1.00 0.00 H new ATOM 0 HG13 VAL B 69 -5.546 3.949 -2.795 1.00 0.00 H new ATOM 0 HG21 VAL B 69 -7.417 6.321 -2.233 1.00 0.00 H new ATOM 0 HG22 VAL B 69 -7.837 4.982 -3.327 1.00 0.00 H new ATOM 0 HG23 VAL B 69 -8.912 5.393 -1.970 1.00 0.00 H new ATOM 1109 N LYS B 70 -7.331 2.407 0.817 1.00 0.00 N ATOM 1110 CA LYS B 70 -6.791 1.641 1.937 1.00 0.00 C ATOM 1111 C LYS B 70 -7.207 0.173 1.878 1.00 0.00 C ATOM 1112 O LYS B 70 -6.415 -0.706 2.200 1.00 0.00 O ATOM 1113 CB LYS B 70 -7.223 2.252 3.273 1.00 0.00 C ATOM 1114 CG LYS B 70 -6.602 3.610 3.554 1.00 0.00 C ATOM 1115 CD LYS B 70 -6.892 4.076 4.973 1.00 0.00 C ATOM 1116 CE LYS B 70 -8.363 4.400 5.175 1.00 0.00 C ATOM 1117 NZ LYS B 70 -8.658 4.774 6.584 1.00 0.00 N1+ ATOM 0 H LYS B 70 -7.889 3.215 1.094 1.00 0.00 H new ATOM 0 HA LYS B 70 -5.705 1.686 1.858 1.00 0.00 H new ATOM 0 HB2 LYS B 70 -8.309 2.350 3.283 1.00 0.00 H new ATOM 0 HB3 LYS B 70 -6.957 1.567 4.078 1.00 0.00 H new ATOM 0 HG2 LYS B 70 -5.524 3.556 3.401 1.00 0.00 H new ATOM 0 HG3 LYS B 70 -6.989 4.341 2.844 1.00 0.00 H new ATOM 0 HD2 LYS B 70 -6.591 3.301 5.678 1.00 0.00 H new ATOM 0 HD3 LYS B 70 -6.292 4.959 5.195 1.00 0.00 H new ATOM 0 HE2 LYS B 70 -8.649 5.218 4.514 1.00 0.00 H new ATOM 0 HE3 LYS B 70 -8.967 3.537 4.894 1.00 0.00 H new ATOM 0 HZ1 LYS B 70 -9.679 4.938 6.693 1.00 0.00 H new ATOM 0 HZ2 LYS B 70 -8.362 4.004 7.217 1.00 0.00 H new ATOM 0 HZ3 LYS B 70 -8.140 5.642 6.829 1.00 0.00 H new ATOM 1131 N PHE B 71 -8.443 -0.089 1.458 1.00 0.00 N ATOM 1132 CA PHE B 71 -8.942 -1.459 1.352 1.00 0.00 C ATOM 1133 C PHE B 71 -8.062 -2.294 0.430 1.00 0.00 C ATOM 1134 O PHE B 71 -7.590 -3.368 0.803 1.00 0.00 O ATOM 1135 CB PHE B 71 -10.385 -1.468 0.836 1.00 0.00 C ATOM 1136 CG PHE B 71 -10.863 -2.824 0.391 1.00 0.00 C ATOM 1137 CD1 PHE B 71 -11.088 -3.835 1.310 1.00 0.00 C ATOM 1138 CD2 PHE B 71 -11.075 -3.086 -0.954 1.00 0.00 C ATOM 1139 CE1 PHE B 71 -11.518 -5.082 0.894 1.00 0.00 C ATOM 1140 CE2 PHE B 71 -11.504 -4.330 -1.374 1.00 0.00 C ATOM 1141 CZ PHE B 71 -11.726 -5.329 -0.449 1.00 0.00 C ATOM 0 H PHE B 71 -9.116 0.627 1.186 1.00 0.00 H new ATOM 0 HA PHE B 71 -8.916 -1.899 2.349 1.00 0.00 H new ATOM 0 HB2 PHE B 71 -11.044 -1.101 1.622 1.00 0.00 H new ATOM 0 HB3 PHE B 71 -10.467 -0.772 0.001 1.00 0.00 H new ATOM 0 HD1 PHE B 71 -10.926 -3.648 2.361 1.00 0.00 H new ATOM 0 HD2 PHE B 71 -10.903 -2.308 -1.682 1.00 0.00 H new ATOM 0 HE1 PHE B 71 -11.691 -5.863 1.620 1.00 0.00 H new ATOM 0 HE2 PHE B 71 -11.665 -4.520 -2.425 1.00 0.00 H new ATOM 0 HZ PHE B 71 -12.062 -6.303 -0.774 1.00 0.00 H new ATOM 1151 N HIS B 72 -7.833 -1.785 -0.770 1.00 0.00 N ATOM 1152 CA HIS B 72 -7.081 -2.521 -1.772 1.00 0.00 C ATOM 1153 C HIS B 72 -5.604 -2.611 -1.403 1.00 0.00 C ATOM 1154 O HIS B 72 -4.920 -3.558 -1.783 1.00 0.00 O ATOM 1155 CB HIS B 72 -7.266 -1.882 -3.148 1.00 0.00 C ATOM 1156 CG HIS B 72 -8.583 -2.217 -3.780 1.00 0.00 C ATOM 1157 ND1 HIS B 72 -9.563 -1.281 -4.035 1.00 0.00 N ATOM 1158 CD2 HIS B 72 -9.081 -3.402 -4.207 1.00 0.00 C ATOM 1159 CE1 HIS B 72 -10.605 -1.879 -4.585 1.00 0.00 C ATOM 1160 NE2 HIS B 72 -10.336 -3.163 -4.700 1.00 0.00 N ATOM 0 H HIS B 72 -8.157 -0.866 -1.073 1.00 0.00 H new ATOM 0 HA HIS B 72 -7.469 -3.539 -1.809 1.00 0.00 H new ATOM 0 HB2 HIS B 72 -7.180 -0.799 -3.054 1.00 0.00 H new ATOM 0 HB3 HIS B 72 -6.461 -2.210 -3.805 1.00 0.00 H new ATOM 0 HD2 HIS B 72 -8.581 -4.358 -4.166 1.00 0.00 H new ATOM 0 HE1 HIS B 72 -11.522 -1.396 -4.889 1.00 0.00 H new ATOM 0 HE2 HIS B 72 -10.962 -3.866 -5.093 1.00 0.00 H new ATOM 1169 N LEU B 73 -5.121 -1.634 -0.649 1.00 0.00 N ATOM 1170 CA LEU B 73 -3.741 -1.647 -0.185 1.00 0.00 C ATOM 1171 C LEU B 73 -3.574 -2.610 0.990 1.00 0.00 C ATOM 1172 O LEU B 73 -2.539 -3.254 1.133 1.00 0.00 O ATOM 1173 CB LEU B 73 -3.298 -0.240 0.217 1.00 0.00 C ATOM 1174 CG LEU B 73 -3.207 0.772 -0.929 1.00 0.00 C ATOM 1175 CD1 LEU B 73 -2.829 2.142 -0.395 1.00 0.00 C ATOM 1176 CD2 LEU B 73 -2.201 0.314 -1.976 1.00 0.00 C ATOM 0 H LEU B 73 -5.662 -0.824 -0.346 1.00 0.00 H new ATOM 0 HA LEU B 73 -3.110 -1.991 -1.005 1.00 0.00 H new ATOM 0 HB2 LEU B 73 -3.995 0.143 0.963 1.00 0.00 H new ATOM 0 HB3 LEU B 73 -2.322 -0.308 0.698 1.00 0.00 H new ATOM 0 HG LEU B 73 -4.186 0.840 -1.404 1.00 0.00 H new ATOM 0 HD11 LEU B 73 -2.768 2.850 -1.221 1.00 0.00 H new ATOM 0 HD12 LEU B 73 -3.585 2.477 0.315 1.00 0.00 H new ATOM 0 HD13 LEU B 73 -1.862 2.084 0.105 1.00 0.00 H new ATOM 0 HD21 LEU B 73 -2.153 1.048 -2.780 1.00 0.00 H new ATOM 0 HD22 LEU B 73 -1.218 0.214 -1.517 1.00 0.00 H new ATOM 0 HD23 LEU B 73 -2.511 -0.649 -2.382 1.00 0.00 H new ATOM 1188 N ALA B 74 -4.603 -2.717 1.822 1.00 0.00 N ATOM 1189 CA ALA B 74 -4.576 -3.638 2.952 1.00 0.00 C ATOM 1190 C ALA B 74 -4.529 -5.080 2.472 1.00 0.00 C ATOM 1191 O ALA B 74 -4.014 -5.961 3.161 1.00 0.00 O ATOM 1192 CB ALA B 74 -5.779 -3.415 3.852 1.00 0.00 C ATOM 0 H ALA B 74 -5.465 -2.179 1.736 1.00 0.00 H new ATOM 0 HA ALA B 74 -3.673 -3.441 3.529 1.00 0.00 H new ATOM 0 HB1 ALA B 74 -5.741 -4.112 4.689 1.00 0.00 H new ATOM 0 HB2 ALA B 74 -5.766 -2.393 4.230 1.00 0.00 H new ATOM 0 HB3 ALA B 74 -6.694 -3.581 3.284 1.00 0.00 H new ATOM 1198 N LYS B 75 -5.059 -5.308 1.276 1.00 0.00 N ATOM 1199 CA LYS B 75 -5.025 -6.624 0.654 1.00 0.00 C ATOM 1200 C LYS B 75 -3.586 -7.100 0.481 1.00 0.00 C ATOM 1201 O LYS B 75 -3.296 -8.288 0.621 1.00 0.00 O ATOM 1202 CB LYS B 75 -5.721 -6.591 -0.711 1.00 0.00 C ATOM 1203 CG LYS B 75 -7.209 -6.274 -0.648 1.00 0.00 C ATOM 1204 CD LYS B 75 -8.013 -7.411 -0.031 1.00 0.00 C ATOM 1205 CE LYS B 75 -7.945 -8.672 -0.879 1.00 0.00 C ATOM 1206 NZ LYS B 75 -8.801 -9.758 -0.334 1.00 0.00 N1+ ATOM 0 H LYS B 75 -5.520 -4.592 0.715 1.00 0.00 H new ATOM 0 HA LYS B 75 -5.553 -7.319 1.307 1.00 0.00 H new ATOM 0 HB2 LYS B 75 -5.229 -5.848 -1.339 1.00 0.00 H new ATOM 0 HB3 LYS B 75 -5.588 -7.557 -1.197 1.00 0.00 H new ATOM 0 HG2 LYS B 75 -7.361 -5.366 -0.065 1.00 0.00 H new ATOM 0 HG3 LYS B 75 -7.579 -6.073 -1.653 1.00 0.00 H new ATOM 0 HD2 LYS B 75 -7.634 -7.624 0.969 1.00 0.00 H new ATOM 0 HD3 LYS B 75 -9.053 -7.103 0.081 1.00 0.00 H new ATOM 0 HE2 LYS B 75 -8.257 -8.441 -1.897 1.00 0.00 H new ATOM 0 HE3 LYS B 75 -6.912 -9.017 -0.933 1.00 0.00 H new ATOM 0 HZ1 LYS B 75 -8.725 -10.598 -0.942 1.00 0.00 H new ATOM 0 HZ2 LYS B 75 -8.487 -9.997 0.628 1.00 0.00 H new ATOM 0 HZ3 LYS B 75 -9.791 -9.439 -0.306 1.00 0.00 H new ATOM 1220 N VAL B 76 -2.684 -6.167 0.188 1.00 0.00 N ATOM 1221 CA VAL B 76 -1.285 -6.512 -0.009 1.00 0.00 C ATOM 1222 C VAL B 76 -0.564 -6.572 1.333 1.00 0.00 C ATOM 1223 O VAL B 76 0.354 -7.365 1.517 1.00 0.00 O ATOM 1224 CB VAL B 76 -0.559 -5.530 -0.969 1.00 0.00 C ATOM 1225 CG1 VAL B 76 -1.464 -5.157 -2.131 1.00 0.00 C ATOM 1226 CG2 VAL B 76 -0.065 -4.280 -0.253 1.00 0.00 C ATOM 0 H VAL B 76 -2.897 -5.175 0.083 1.00 0.00 H new ATOM 0 HA VAL B 76 -1.259 -7.495 -0.480 1.00 0.00 H new ATOM 0 HB VAL B 76 0.320 -6.047 -1.354 1.00 0.00 H new ATOM 0 HG11 VAL B 76 -0.940 -4.468 -2.794 1.00 0.00 H new ATOM 0 HG12 VAL B 76 -1.736 -6.056 -2.684 1.00 0.00 H new ATOM 0 HG13 VAL B 76 -2.366 -4.678 -1.750 1.00 0.00 H new ATOM 0 HG21 VAL B 76 0.435 -3.626 -0.967 1.00 0.00 H new ATOM 0 HG22 VAL B 76 -0.912 -3.755 0.189 1.00 0.00 H new ATOM 0 HG23 VAL B 76 0.636 -4.563 0.532 1.00 0.00 H new ATOM 1236 N TYR B 77 -1.009 -5.747 2.280 1.00 0.00 N ATOM 1237 CA TYR B 77 -0.438 -5.734 3.623 1.00 0.00 C ATOM 1238 C TYR B 77 -0.570 -7.108 4.270 1.00 0.00 C ATOM 1239 O TYR B 77 0.356 -7.593 4.922 1.00 0.00 O ATOM 1240 CB TYR B 77 -1.126 -4.660 4.479 1.00 0.00 C ATOM 1241 CG TYR B 77 -0.744 -4.689 5.947 1.00 0.00 C ATOM 1242 CD1 TYR B 77 0.577 -4.855 6.345 1.00 0.00 C ATOM 1243 CD2 TYR B 77 -1.711 -4.546 6.934 1.00 0.00 C ATOM 1244 CE1 TYR B 77 0.922 -4.880 7.683 1.00 0.00 C ATOM 1245 CE2 TYR B 77 -1.374 -4.569 8.273 1.00 0.00 C ATOM 1246 CZ TYR B 77 -0.056 -4.737 8.641 1.00 0.00 C ATOM 1247 OH TYR B 77 0.285 -4.760 9.974 1.00 0.00 O ATOM 0 H TYR B 77 -1.766 -5.078 2.140 1.00 0.00 H new ATOM 0 HA TYR B 77 0.623 -5.492 3.553 1.00 0.00 H new ATOM 0 HB2 TYR B 77 -0.883 -3.678 4.072 1.00 0.00 H new ATOM 0 HB3 TYR B 77 -2.206 -4.782 4.395 1.00 0.00 H new ATOM 0 HD1 TYR B 77 1.347 -4.966 5.596 1.00 0.00 H new ATOM 0 HD2 TYR B 77 -2.744 -4.415 6.649 1.00 0.00 H new ATOM 0 HE1 TYR B 77 1.953 -5.011 7.975 1.00 0.00 H new ATOM 0 HE2 TYR B 77 -2.138 -4.456 9.028 1.00 0.00 H new ATOM 0 HH TYR B 77 -0.521 -4.645 10.520 1.00 0.00 H new ATOM 1257 N ARG B 78 -1.717 -7.740 4.059 1.00 0.00 N ATOM 1258 CA ARG B 78 -1.966 -9.076 4.584 1.00 0.00 C ATOM 1259 C ARG B 78 -0.982 -10.078 3.993 1.00 0.00 C ATOM 1260 O ARG B 78 -0.634 -11.074 4.629 1.00 0.00 O ATOM 1261 CB ARG B 78 -3.398 -9.497 4.277 1.00 0.00 C ATOM 1262 CG ARG B 78 -4.418 -8.543 4.859 1.00 0.00 C ATOM 1263 CD ARG B 78 -5.826 -9.082 4.729 1.00 0.00 C ATOM 1264 NE ARG B 78 -6.815 -8.183 5.321 1.00 0.00 N ATOM 1265 CZ ARG B 78 -8.065 -8.056 4.880 1.00 0.00 C ATOM 1266 NH1 ARG B 78 -8.474 -8.747 3.821 1.00 0.00 N1+ ATOM 1267 NH2 ARG B 78 -8.902 -7.233 5.496 1.00 0.00 N ATOM 0 H ARG B 78 -2.493 -7.347 3.526 1.00 0.00 H new ATOM 0 HA ARG B 78 -1.826 -9.057 5.665 1.00 0.00 H new ATOM 0 HB2 ARG B 78 -3.533 -9.554 3.197 1.00 0.00 H new ATOM 0 HB3 ARG B 78 -3.573 -10.497 4.674 1.00 0.00 H new ATOM 0 HG2 ARG B 78 -4.192 -8.365 5.910 1.00 0.00 H new ATOM 0 HG3 ARG B 78 -4.348 -7.581 4.351 1.00 0.00 H new ATOM 0 HD2 ARG B 78 -6.060 -9.234 3.675 1.00 0.00 H new ATOM 0 HD3 ARG B 78 -5.887 -10.057 5.213 1.00 0.00 H new ATOM 0 HE ARG B 78 -6.530 -7.618 6.121 1.00 0.00 H new ATOM 0 HH11 ARG B 78 -7.830 -9.377 3.343 1.00 0.00 H new ATOM 0 HH12 ARG B 78 -9.432 -8.647 3.486 1.00 0.00 H new ATOM 0 HH21 ARG B 78 -8.588 -6.699 6.306 1.00 0.00 H new ATOM 0 HH22 ARG B 78 -9.860 -7.134 5.160 1.00 0.00 H new ATOM 1281 N ILE B 79 -0.532 -9.789 2.781 1.00 0.00 N ATOM 1282 CA ILE B 79 0.442 -10.629 2.095 1.00 0.00 C ATOM 1283 C ILE B 79 1.817 -10.510 2.745 1.00 0.00 C ATOM 1284 O ILE B 79 2.384 -11.510 3.174 1.00 0.00 O ATOM 1285 CB ILE B 79 0.560 -10.262 0.601 1.00 0.00 C ATOM 1286 CG1 ILE B 79 -0.795 -10.402 -0.089 1.00 0.00 C ATOM 1287 CG2 ILE B 79 1.602 -11.140 -0.083 1.00 0.00 C ATOM 1288 CD1 ILE B 79 -0.775 -9.989 -1.542 1.00 0.00 C ATOM 0 H ILE B 79 -0.828 -8.972 2.247 1.00 0.00 H new ATOM 0 HA ILE B 79 0.086 -11.656 2.177 1.00 0.00 H new ATOM 0 HB ILE B 79 0.882 -9.223 0.523 1.00 0.00 H new ATOM 0 HG12 ILE B 79 -1.125 -11.438 -0.018 1.00 0.00 H new ATOM 0 HG13 ILE B 79 -1.529 -9.797 0.443 1.00 0.00 H new ATOM 0 HG21 ILE B 79 1.672 -10.868 -1.136 1.00 0.00 H new ATOM 0 HG22 ILE B 79 2.571 -10.994 0.395 1.00 0.00 H new ATOM 0 HG23 ILE B 79 1.309 -12.186 0.002 1.00 0.00 H new ATOM 0 HD11 ILE B 79 -1.770 -10.114 -1.970 1.00 0.00 H new ATOM 0 HD12 ILE B 79 -0.476 -8.944 -1.619 1.00 0.00 H new ATOM 0 HD13 ILE B 79 -0.065 -10.611 -2.087 1.00 0.00 H new ATOM 1300 N LEU B 80 2.341 -9.282 2.827 1.00 0.00 N ATOM 1301 CA LEU B 80 3.664 -9.052 3.423 1.00 0.00 C ATOM 1302 C LEU B 80 3.711 -9.568 4.855 1.00 0.00 C ATOM 1303 O LEU B 80 4.761 -9.993 5.340 1.00 0.00 O ATOM 1304 CB LEU B 80 4.050 -7.564 3.435 1.00 0.00 C ATOM 1305 CG LEU B 80 4.411 -6.919 2.090 1.00 0.00 C ATOM 1306 CD1 LEU B 80 5.298 -7.831 1.262 1.00 0.00 C ATOM 1307 CD2 LEU B 80 3.165 -6.520 1.326 1.00 0.00 C ATOM 0 H LEU B 80 1.875 -8.439 2.492 1.00 0.00 H new ATOM 0 HA LEU B 80 4.375 -9.595 2.800 1.00 0.00 H new ATOM 0 HB2 LEU B 80 3.220 -7.004 3.866 1.00 0.00 H new ATOM 0 HB3 LEU B 80 4.900 -7.441 4.107 1.00 0.00 H new ATOM 0 HG LEU B 80 4.978 -6.011 2.298 1.00 0.00 H new ATOM 0 HD11 LEU B 80 5.536 -7.346 0.315 1.00 0.00 H new ATOM 0 HD12 LEU B 80 6.220 -8.035 1.807 1.00 0.00 H new ATOM 0 HD13 LEU B 80 4.776 -8.768 1.068 1.00 0.00 H new ATOM 0 HD21 LEU B 80 3.450 -6.066 0.377 1.00 0.00 H new ATOM 0 HD22 LEU B 80 2.556 -7.404 1.137 1.00 0.00 H new ATOM 0 HD23 LEU B 80 2.592 -5.803 1.914 1.00 0.00 H new ATOM 1319 N SER B 81 2.569 -9.527 5.523 1.00 0.00 N ATOM 1320 CA SER B 81 2.481 -9.947 6.906 1.00 0.00 C ATOM 1321 C SER B 81 2.507 -11.469 7.003 1.00 0.00 C ATOM 1322 O SER B 81 3.146 -12.031 7.899 1.00 0.00 O ATOM 1323 CB SER B 81 1.200 -9.392 7.538 1.00 0.00 C ATOM 1324 OG SER B 81 1.139 -9.674 8.926 1.00 0.00 O ATOM 0 H SER B 81 1.687 -9.205 5.124 1.00 0.00 H new ATOM 0 HA SER B 81 3.341 -9.555 7.449 1.00 0.00 H new ATOM 0 HB2 SER B 81 1.154 -8.314 7.383 1.00 0.00 H new ATOM 0 HB3 SER B 81 0.331 -9.823 7.040 1.00 0.00 H new ATOM 0 HG SER B 81 0.311 -9.305 9.299 1.00 0.00 H new ATOM 1330 N SER B 82 1.829 -12.139 6.078 1.00 0.00 N ATOM 1331 CA SER B 82 1.754 -13.590 6.097 1.00 0.00 C ATOM 1332 C SER B 82 1.405 -14.153 4.719 1.00 0.00 C ATOM 1333 O SER B 82 0.319 -13.899 4.193 1.00 0.00 O ATOM 1334 CB SER B 82 0.704 -14.046 7.113 1.00 0.00 C ATOM 1335 OG SER B 82 1.036 -13.631 8.429 1.00 0.00 O ATOM 0 H SER B 82 1.325 -11.699 5.308 1.00 0.00 H new ATOM 0 HA SER B 82 2.736 -13.968 6.382 1.00 0.00 H new ATOM 0 HB2 SER B 82 -0.270 -13.641 6.838 1.00 0.00 H new ATOM 0 HB3 SER B 82 0.617 -15.132 7.084 1.00 0.00 H new ATOM 0 HG SER B 82 0.345 -13.937 9.053 1.00 0.00 H new ATOM 1341 N THR B 83 2.327 -14.913 4.134 1.00 0.00 N ATOM 1342 CA THR B 83 2.041 -15.641 2.904 1.00 0.00 C ATOM 1343 C THR B 83 1.253 -16.903 3.244 1.00 0.00 C ATOM 1344 O THR B 83 0.479 -17.422 2.436 1.00 0.00 O ATOM 1345 CB THR B 83 3.336 -16.008 2.133 1.00 0.00 C ATOM 1346 OG1 THR B 83 3.010 -16.588 0.865 1.00 0.00 O ATOM 1347 CG2 THR B 83 4.209 -16.972 2.926 1.00 0.00 C ATOM 0 H THR B 83 3.274 -15.040 4.491 1.00 0.00 H new ATOM 0 HA THR B 83 1.452 -14.996 2.252 1.00 0.00 H new ATOM 0 HB THR B 83 3.899 -15.087 1.981 1.00 0.00 H new ATOM 0 HG1 THR B 83 3.835 -16.814 0.387 1.00 0.00 H new ATOM 0 HG21 THR B 83 5.106 -17.205 2.353 1.00 0.00 H new ATOM 0 HG22 THR B 83 4.492 -16.512 3.873 1.00 0.00 H new ATOM 0 HG23 THR B 83 3.654 -17.890 3.120 1.00 0.00 H new ATOM 1355 N VAL B 84 1.455 -17.377 4.466 1.00 0.00 N ATOM 1356 CA VAL B 84 0.683 -18.476 5.016 1.00 0.00 C ATOM 1357 C VAL B 84 0.002 -18.008 6.288 1.00 0.00 C ATOM 1358 O VAL B 84 0.436 -17.034 6.901 1.00 0.00 O ATOM 1359 CB VAL B 84 1.559 -19.709 5.323 1.00 0.00 C ATOM 1360 CG1 VAL B 84 2.037 -20.361 4.036 1.00 0.00 C ATOM 1361 CG2 VAL B 84 2.742 -19.331 6.204 1.00 0.00 C ATOM 0 H VAL B 84 2.161 -17.007 5.103 1.00 0.00 H new ATOM 0 HA VAL B 84 -0.053 -18.778 4.271 1.00 0.00 H new ATOM 0 HB VAL B 84 0.949 -20.429 5.867 1.00 0.00 H new ATOM 0 HG11 VAL B 84 2.653 -21.228 4.274 1.00 0.00 H new ATOM 0 HG12 VAL B 84 1.176 -20.678 3.447 1.00 0.00 H new ATOM 0 HG13 VAL B 84 2.625 -19.645 3.462 1.00 0.00 H new ATOM 0 HG21 VAL B 84 3.343 -20.217 6.406 1.00 0.00 H new ATOM 0 HG22 VAL B 84 3.353 -18.587 5.693 1.00 0.00 H new ATOM 0 HG23 VAL B 84 2.378 -18.918 7.145 1.00 0.00 H new ATOM 1371 N ASN B 85 -1.050 -18.701 6.683 1.00 0.00 N ATOM 1372 CA ASN B 85 -1.860 -18.297 7.829 1.00 0.00 C ATOM 1373 C ASN B 85 -1.168 -18.635 9.151 1.00 0.00 C ATOM 1374 O ASN B 85 -1.725 -19.324 10.007 1.00 0.00 O ATOM 1375 CB ASN B 85 -3.245 -18.953 7.748 1.00 0.00 C ATOM 1376 CG ASN B 85 -3.177 -20.459 7.570 1.00 0.00 C ATOM 1377 OD1 ASN B 85 -3.046 -20.903 6.327 1.00 0.00 O flip ATOM 1378 ND2 ASN B 85 -3.230 -21.218 8.536 1.00 0.00 N flip ATOM 0 H ASN B 85 -1.370 -19.555 6.226 1.00 0.00 H new ATOM 0 HA ASN B 85 -1.982 -17.214 7.798 1.00 0.00 H new ATOM 0 HB2 ASN B 85 -3.803 -18.725 8.656 1.00 0.00 H new ATOM 0 HB3 ASN B 85 -3.799 -18.519 6.916 1.00 0.00 H new ATOM 0 HD21 ASN B 85 -3.331 -20.839 9.478 1.00 0.00 H new ATOM 0 HD22 ASN B 85 -3.173 -22.227 8.396 1.00 0.00 H new ATOM 1385 N ASP B 86 0.043 -18.122 9.311 1.00 0.00 N ATOM 1386 CA ASP B 86 0.815 -18.321 10.528 1.00 0.00 C ATOM 1387 C ASP B 86 1.601 -17.065 10.867 1.00 0.00 C ATOM 1388 O ASP B 86 1.517 -16.546 11.977 1.00 0.00 O ATOM 1389 CB ASP B 86 1.781 -19.500 10.381 1.00 0.00 C ATOM 1390 CG ASP B 86 2.641 -19.693 11.615 1.00 0.00 C ATOM 1391 OD1 ASP B 86 2.211 -20.422 12.534 1.00 0.00 O ATOM 1392 OD2 ASP B 86 3.748 -19.112 11.673 1.00 0.00 O1- ATOM 0 H ASP B 86 0.516 -17.559 8.604 1.00 0.00 H new ATOM 0 HA ASP B 86 0.114 -18.540 11.333 1.00 0.00 H new ATOM 0 HB2 ASP B 86 1.214 -20.411 10.190 1.00 0.00 H new ATOM 0 HB3 ASP B 86 2.422 -19.336 9.515 1.00 0.00 H new ATOM 1397 N GLY B 87 2.359 -16.574 9.895 1.00 0.00 N ATOM 1398 CA GLY B 87 3.157 -15.385 10.110 1.00 0.00 C ATOM 1399 C GLY B 87 4.638 -15.646 9.938 1.00 0.00 C ATOM 1400 O GLY B 87 5.443 -14.714 9.959 1.00 0.00 O ATOM 0 H GLY B 87 2.435 -16.979 8.962 1.00 0.00 H new ATOM 0 HA2 GLY B 87 2.844 -14.609 9.411 1.00 0.00 H new ATOM 0 HA3 GLY B 87 2.972 -15.003 11.114 1.00 0.00 H new ATOM 1404 N SER B 88 4.995 -16.918 9.774 1.00 0.00 N ATOM 1405 CA SER B 88 6.384 -17.315 9.571 1.00 0.00 C ATOM 1406 C SER B 88 7.003 -16.585 8.384 1.00 0.00 C ATOM 1407 O SER B 88 6.611 -16.796 7.234 1.00 0.00 O ATOM 1408 CB SER B 88 6.482 -18.822 9.346 1.00 0.00 C ATOM 1409 OG SER B 88 6.028 -19.550 10.476 1.00 0.00 O ATOM 0 H SER B 88 4.335 -17.696 9.778 1.00 0.00 H new ATOM 0 HA SER B 88 6.936 -17.045 10.471 1.00 0.00 H new ATOM 0 HB2 SER B 88 5.891 -19.099 8.473 1.00 0.00 H new ATOM 0 HB3 SER B 88 7.516 -19.092 9.130 1.00 0.00 H new ATOM 0 HG SER B 88 5.091 -19.325 10.656 1.00 0.00 H new ATOM 1415 N SER B 89 7.965 -15.728 8.677 1.00 0.00 N ATOM 1416 CA SER B 89 8.655 -14.959 7.656 1.00 0.00 C ATOM 1417 C SER B 89 9.924 -14.357 8.249 1.00 0.00 C ATOM 1418 O SER B 89 10.310 -13.232 7.925 1.00 0.00 O ATOM 1419 CB SER B 89 7.737 -13.854 7.108 1.00 0.00 C ATOM 1420 OG SER B 89 8.295 -13.232 5.959 1.00 0.00 O ATOM 0 H SER B 89 8.289 -15.546 9.627 1.00 0.00 H new ATOM 0 HA SER B 89 8.925 -15.616 6.829 1.00 0.00 H new ATOM 0 HB2 SER B 89 6.765 -14.279 6.856 1.00 0.00 H new ATOM 0 HB3 SER B 89 7.567 -13.105 7.881 1.00 0.00 H new ATOM 0 HG SER B 89 9.220 -12.968 6.147 1.00 0.00 H new ATOM 1426 N GLY B 90 10.559 -15.112 9.136 1.00 0.00 N ATOM 1427 CA GLY B 90 11.770 -14.645 9.779 1.00 0.00 C ATOM 1428 C GLY B 90 12.995 -14.929 8.943 1.00 0.00 C ATOM 1429 O GLY B 90 13.940 -14.139 8.918 1.00 0.00 O ATOM 0 H GLY B 90 10.255 -16.043 9.422 1.00 0.00 H new ATOM 0 HA2 GLY B 90 11.695 -13.573 9.961 1.00 0.00 H new ATOM 0 HA3 GLY B 90 11.874 -15.127 10.751 1.00 0.00 H new ATOM 1433 N LYS B 91 12.971 -16.054 8.247 1.00 0.00 N ATOM 1434 CA LYS B 91 14.057 -16.435 7.364 1.00 0.00 C ATOM 1435 C LYS B 91 13.894 -15.724 6.035 1.00 0.00 C ATOM 1436 O LYS B 91 13.526 -16.345 5.038 1.00 0.00 O ATOM 1437 CB LYS B 91 14.063 -17.944 7.130 1.00 0.00 C ATOM 1438 CG LYS B 91 14.244 -18.774 8.389 1.00 0.00 C ATOM 1439 CD LYS B 91 14.224 -20.261 8.072 1.00 0.00 C ATOM 1440 CE LYS B 91 15.313 -20.635 7.074 1.00 0.00 C ATOM 1441 NZ LYS B 91 15.256 -22.070 6.699 1.00 0.00 N1+ ATOM 0 H LYS B 91 12.202 -16.724 8.279 1.00 0.00 H new ATOM 0 HA LYS B 91 15.000 -16.151 7.830 1.00 0.00 H new ATOM 0 HB2 LYS B 91 13.125 -18.229 6.653 1.00 0.00 H new ATOM 0 HB3 LYS B 91 14.863 -18.188 6.431 1.00 0.00 H new ATOM 0 HG2 LYS B 91 15.188 -18.514 8.867 1.00 0.00 H new ATOM 0 HG3 LYS B 91 13.451 -18.540 9.100 1.00 0.00 H new ATOM 0 HD2 LYS B 91 14.360 -20.832 8.991 1.00 0.00 H new ATOM 0 HD3 LYS B 91 13.249 -20.535 7.668 1.00 0.00 H new ATOM 0 HE2 LYS B 91 15.210 -20.022 6.179 1.00 0.00 H new ATOM 0 HE3 LYS B 91 16.290 -20.411 7.503 1.00 0.00 H new ATOM 0 HZ1 LYS B 91 16.014 -22.281 6.019 1.00 0.00 H new ATOM 0 HZ2 LYS B 91 15.380 -22.656 7.549 1.00 0.00 H new ATOM 0 HZ3 LYS B 91 14.334 -22.279 6.266 1.00 0.00 H new ATOM 1455 N MET B 92 14.180 -14.430 6.033 1.00 0.00 N ATOM 1456 CA MET B 92 13.915 -13.579 4.895 1.00 0.00 C ATOM 1457 C MET B 92 12.464 -13.731 4.448 1.00 0.00 C ATOM 1458 O MET B 92 11.569 -13.182 5.095 1.00 0.00 O ATOM 1459 CB MET B 92 14.890 -13.906 3.775 1.00 0.00 C ATOM 1460 CG MET B 92 16.249 -13.243 3.933 1.00 0.00 C ATOM 1461 SD MET B 92 16.133 -11.452 4.123 1.00 0.00 S ATOM 1462 CE MET B 92 15.190 -11.026 2.663 1.00 0.00 C ATOM 0 H MET B 92 14.603 -13.945 6.825 1.00 0.00 H new ATOM 0 HA MET B 92 14.061 -12.536 5.175 1.00 0.00 H new ATOM 0 HB2 MET B 92 15.026 -14.986 3.728 1.00 0.00 H new ATOM 0 HB3 MET B 92 14.454 -13.598 2.825 1.00 0.00 H new ATOM 0 HG2 MET B 92 16.755 -13.664 4.802 1.00 0.00 H new ATOM 0 HG3 MET B 92 16.864 -13.473 3.063 1.00 0.00 H new ATOM 0 HE1 MET B 92 15.213 -9.946 2.517 1.00 0.00 H new ATOM 0 HE2 MET B 92 15.624 -11.519 1.793 1.00 0.00 H new ATOM 0 HE3 MET B 92 14.158 -11.353 2.788 1.00 0.00 H new ATOM 1472 N ASN B 93 12.234 -14.465 3.355 1.00 0.00 N ATOM 1473 CA ASN B 93 10.880 -14.781 2.874 1.00 0.00 C ATOM 1474 C ASN B 93 10.178 -13.541 2.293 1.00 0.00 C ATOM 1475 O ASN B 93 9.243 -13.650 1.501 1.00 0.00 O ATOM 1476 CB ASN B 93 10.055 -15.399 4.017 1.00 0.00 C ATOM 1477 CG ASN B 93 8.721 -15.962 3.571 1.00 0.00 C ATOM 1478 OD1 ASN B 93 8.619 -17.132 3.202 1.00 0.00 O ATOM 1479 ND2 ASN B 93 7.686 -15.144 3.625 1.00 0.00 N ATOM 0 H ASN B 93 12.978 -14.857 2.778 1.00 0.00 H new ATOM 0 HA ASN B 93 10.964 -15.506 2.064 1.00 0.00 H new ATOM 0 HB2 ASN B 93 10.637 -16.194 4.484 1.00 0.00 H new ATOM 0 HB3 ASN B 93 9.882 -14.640 4.780 1.00 0.00 H new ATOM 0 HD21 ASN B 93 6.760 -15.475 3.355 1.00 0.00 H new ATOM 0 HD22 ASN B 93 7.813 -14.181 3.937 1.00 0.00 H new ATOM 1486 N SER B 94 10.665 -12.367 2.659 1.00 0.00 N ATOM 1487 CA SER B 94 10.042 -11.109 2.291 1.00 0.00 C ATOM 1488 C SER B 94 10.243 -10.783 0.812 1.00 0.00 C ATOM 1489 O SER B 94 9.415 -10.103 0.210 1.00 0.00 O ATOM 1490 CB SER B 94 10.605 -9.990 3.164 1.00 0.00 C ATOM 1491 OG SER B 94 12.020 -10.048 3.213 1.00 0.00 O ATOM 0 H SER B 94 11.508 -12.261 3.223 1.00 0.00 H new ATOM 0 HA SER B 94 8.968 -11.201 2.456 1.00 0.00 H new ATOM 0 HB2 SER B 94 10.290 -9.023 2.770 1.00 0.00 H new ATOM 0 HB3 SER B 94 10.199 -10.071 4.172 1.00 0.00 H new ATOM 0 HG SER B 94 12.358 -9.321 3.776 1.00 0.00 H new ATOM 1497 N ASP B 95 11.328 -11.278 0.226 1.00 0.00 N ATOM 1498 CA ASP B 95 11.594 -11.054 -1.196 1.00 0.00 C ATOM 1499 C ASP B 95 10.560 -11.805 -2.027 1.00 0.00 C ATOM 1500 O ASP B 95 10.166 -11.371 -3.110 1.00 0.00 O ATOM 1501 CB ASP B 95 13.012 -11.510 -1.563 1.00 0.00 C ATOM 1502 CG ASP B 95 13.371 -11.230 -3.010 1.00 0.00 C ATOM 1503 OD1 ASP B 95 13.681 -10.065 -3.337 1.00 0.00 O ATOM 1504 OD2 ASP B 95 13.365 -12.178 -3.824 1.00 0.00 O1- ATOM 0 H ASP B 95 12.035 -11.834 0.707 1.00 0.00 H new ATOM 0 HA ASP B 95 11.521 -9.987 -1.408 1.00 0.00 H new ATOM 0 HB2 ASP B 95 13.728 -11.007 -0.913 1.00 0.00 H new ATOM 0 HB3 ASP B 95 13.104 -12.579 -1.372 1.00 0.00 H new ATOM 1509 N LEU B 96 10.112 -12.929 -1.489 1.00 0.00 N ATOM 1510 CA LEU B 96 9.038 -13.696 -2.074 1.00 0.00 C ATOM 1511 C LEU B 96 7.713 -12.966 -1.867 1.00 0.00 C ATOM 1512 O LEU B 96 6.896 -12.858 -2.783 1.00 0.00 O ATOM 1513 CB LEU B 96 9.022 -15.071 -1.411 1.00 0.00 C ATOM 1514 CG LEU B 96 7.657 -15.579 -0.973 1.00 0.00 C ATOM 1515 CD1 LEU B 96 6.968 -16.294 -2.115 1.00 0.00 C ATOM 1516 CD2 LEU B 96 7.809 -16.472 0.238 1.00 0.00 C ATOM 0 H LEU B 96 10.489 -13.331 -0.631 1.00 0.00 H new ATOM 0 HA LEU B 96 9.186 -13.816 -3.147 1.00 0.00 H new ATOM 0 HB2 LEU B 96 9.452 -15.793 -2.105 1.00 0.00 H new ATOM 0 HB3 LEU B 96 9.674 -15.040 -0.538 1.00 0.00 H new ATOM 0 HG LEU B 96 7.028 -14.734 -0.693 1.00 0.00 H new ATOM 0 HD11 LEU B 96 5.993 -16.651 -1.785 1.00 0.00 H new ATOM 0 HD12 LEU B 96 6.839 -15.606 -2.950 1.00 0.00 H new ATOM 0 HD13 LEU B 96 7.576 -17.141 -2.434 1.00 0.00 H new ATOM 0 HD21 LEU B 96 6.829 -16.834 0.549 1.00 0.00 H new ATOM 0 HD22 LEU B 96 8.446 -17.320 -0.013 1.00 0.00 H new ATOM 0 HD23 LEU B 96 8.262 -15.907 1.052 1.00 0.00 H new ATOM 1528 N GLN B 97 7.521 -12.450 -0.656 1.00 0.00 N ATOM 1529 CA GLN B 97 6.318 -11.697 -0.316 1.00 0.00 C ATOM 1530 C GLN B 97 6.186 -10.479 -1.217 1.00 0.00 C ATOM 1531 O GLN B 97 5.078 -10.085 -1.580 1.00 0.00 O ATOM 1532 CB GLN B 97 6.356 -11.254 1.149 1.00 0.00 C ATOM 1533 CG GLN B 97 6.480 -12.401 2.139 1.00 0.00 C ATOM 1534 CD GLN B 97 5.152 -13.048 2.491 1.00 0.00 C ATOM 1535 OE1 GLN B 97 4.988 -13.586 3.586 1.00 0.00 O ATOM 1536 NE2 GLN B 97 4.194 -13.000 1.577 1.00 0.00 N ATOM 0 H GLN B 97 8.188 -12.541 0.110 1.00 0.00 H new ATOM 0 HA GLN B 97 5.456 -12.347 -0.465 1.00 0.00 H new ATOM 0 HB2 GLN B 97 7.196 -10.573 1.290 1.00 0.00 H new ATOM 0 HB3 GLN B 97 5.449 -10.692 1.372 1.00 0.00 H new ATOM 0 HG2 GLN B 97 7.144 -13.158 1.723 1.00 0.00 H new ATOM 0 HG3 GLN B 97 6.948 -12.033 3.052 1.00 0.00 H new ATOM 0 HE21 GLN B 97 4.367 -12.545 0.680 1.00 0.00 H new ATOM 0 HE22 GLN B 97 3.284 -13.418 1.770 1.00 0.00 H new ATOM 1545 N LYS B 98 7.329 -9.887 -1.557 1.00 0.00 N ATOM 1546 CA LYS B 98 7.390 -8.773 -2.492 1.00 0.00 C ATOM 1547 C LYS B 98 6.595 -9.067 -3.751 1.00 0.00 C ATOM 1548 O LYS B 98 5.670 -8.335 -4.091 1.00 0.00 O ATOM 1549 CB LYS B 98 8.844 -8.468 -2.861 1.00 0.00 C ATOM 1550 CG LYS B 98 9.374 -7.161 -2.291 1.00 0.00 C ATOM 1551 CD LYS B 98 9.335 -7.135 -0.771 1.00 0.00 C ATOM 1552 CE LYS B 98 9.879 -5.821 -0.242 1.00 0.00 C ATOM 1553 NZ LYS B 98 9.949 -5.787 1.242 1.00 0.00 N1+ ATOM 0 H LYS B 98 8.238 -10.169 -1.190 1.00 0.00 H new ATOM 0 HA LYS B 98 6.951 -7.904 -2.002 1.00 0.00 H new ATOM 0 HB2 LYS B 98 9.474 -9.285 -2.511 1.00 0.00 H new ATOM 0 HB3 LYS B 98 8.933 -8.440 -3.947 1.00 0.00 H new ATOM 0 HG2 LYS B 98 10.399 -7.010 -2.628 1.00 0.00 H new ATOM 0 HG3 LYS B 98 8.784 -6.332 -2.681 1.00 0.00 H new ATOM 0 HD2 LYS B 98 8.310 -7.275 -0.426 1.00 0.00 H new ATOM 0 HD3 LYS B 98 9.921 -7.963 -0.373 1.00 0.00 H new ATOM 0 HE2 LYS B 98 10.874 -5.653 -0.653 1.00 0.00 H new ATOM 0 HE3 LYS B 98 9.248 -5.004 -0.591 1.00 0.00 H new ATOM 0 HZ1 LYS B 98 10.577 -5.014 1.542 1.00 0.00 H new ATOM 0 HZ2 LYS B 98 8.997 -5.630 1.631 1.00 0.00 H new ATOM 0 HZ3 LYS B 98 10.322 -6.692 1.593 1.00 0.00 H new ATOM 1567 N GLU B 99 6.941 -10.156 -4.420 1.00 0.00 N ATOM 1568 CA GLU B 99 6.287 -10.524 -5.666 1.00 0.00 C ATOM 1569 C GLU B 99 4.781 -10.632 -5.503 1.00 0.00 C ATOM 1570 O GLU B 99 4.033 -9.967 -6.215 1.00 0.00 O ATOM 1571 CB GLU B 99 6.838 -11.839 -6.195 1.00 0.00 C ATOM 1572 CG GLU B 99 8.158 -11.691 -6.923 1.00 0.00 C ATOM 1573 CD GLU B 99 8.149 -10.533 -7.898 1.00 0.00 C ATOM 1574 OE1 GLU B 99 7.376 -10.581 -8.878 1.00 0.00 O ATOM 1575 OE2 GLU B 99 8.917 -9.571 -7.694 1.00 0.00 O1- ATOM 0 H GLU B 99 7.672 -10.801 -4.120 1.00 0.00 H new ATOM 0 HA GLU B 99 6.496 -9.730 -6.383 1.00 0.00 H new ATOM 0 HB2 GLU B 99 6.967 -12.531 -5.363 1.00 0.00 H new ATOM 0 HB3 GLU B 99 6.108 -12.285 -6.870 1.00 0.00 H new ATOM 0 HG2 GLU B 99 8.957 -11.545 -6.196 1.00 0.00 H new ATOM 0 HG3 GLU B 99 8.380 -12.613 -7.460 1.00 0.00 H new ATOM 1582 N LEU B 100 4.340 -11.459 -4.568 1.00 0.00 N ATOM 1583 CA LEU B 100 2.913 -11.688 -4.361 1.00 0.00 C ATOM 1584 C LEU B 100 2.186 -10.383 -4.048 1.00 0.00 C ATOM 1585 O LEU B 100 1.069 -10.160 -4.513 1.00 0.00 O ATOM 1586 CB LEU B 100 2.679 -12.704 -3.238 1.00 0.00 C ATOM 1587 CG LEU B 100 2.875 -14.180 -3.618 1.00 0.00 C ATOM 1588 CD1 LEU B 100 1.960 -14.563 -4.772 1.00 0.00 C ATOM 1589 CD2 LEU B 100 4.325 -14.473 -3.971 1.00 0.00 C ATOM 0 H LEU B 100 4.947 -11.984 -3.939 1.00 0.00 H new ATOM 0 HA LEU B 100 2.508 -12.094 -5.288 1.00 0.00 H new ATOM 0 HB2 LEU B 100 3.353 -12.468 -2.414 1.00 0.00 H new ATOM 0 HB3 LEU B 100 1.663 -12.577 -2.865 1.00 0.00 H new ATOM 0 HG LEU B 100 2.612 -14.783 -2.749 1.00 0.00 H new ATOM 0 HD11 LEU B 100 2.114 -15.612 -5.026 1.00 0.00 H new ATOM 0 HD12 LEU B 100 0.921 -14.409 -4.479 1.00 0.00 H new ATOM 0 HD13 LEU B 100 2.188 -13.943 -5.639 1.00 0.00 H new ATOM 0 HD21 LEU B 100 4.430 -15.525 -4.235 1.00 0.00 H new ATOM 0 HD22 LEU B 100 4.626 -13.855 -4.817 1.00 0.00 H new ATOM 0 HD23 LEU B 100 4.960 -14.249 -3.114 1.00 0.00 H new ATOM 1601 N ALA B 101 2.835 -9.520 -3.280 1.00 0.00 N ATOM 1602 CA ALA B 101 2.271 -8.221 -2.955 1.00 0.00 C ATOM 1603 C ALA B 101 2.151 -7.356 -4.207 1.00 0.00 C ATOM 1604 O ALA B 101 1.085 -6.813 -4.493 1.00 0.00 O ATOM 1605 CB ALA B 101 3.115 -7.525 -1.897 1.00 0.00 C ATOM 0 H ALA B 101 3.752 -9.697 -2.871 1.00 0.00 H new ATOM 0 HA ALA B 101 1.270 -8.372 -2.551 1.00 0.00 H new ATOM 0 HB1 ALA B 101 2.679 -6.553 -1.665 1.00 0.00 H new ATOM 0 HB2 ALA B 101 3.143 -8.135 -0.994 1.00 0.00 H new ATOM 0 HB3 ALA B 101 4.129 -7.387 -2.273 1.00 0.00 H new ATOM 1611 N VAL B 102 3.239 -7.257 -4.970 1.00 0.00 N ATOM 1612 CA VAL B 102 3.251 -6.449 -6.190 1.00 0.00 C ATOM 1613 C VAL B 102 2.267 -7.003 -7.217 1.00 0.00 C ATOM 1614 O VAL B 102 1.669 -6.249 -7.983 1.00 0.00 O ATOM 1615 CB VAL B 102 4.658 -6.370 -6.826 1.00 0.00 C ATOM 1616 CG1 VAL B 102 4.648 -5.474 -8.056 1.00 0.00 C ATOM 1617 CG2 VAL B 102 5.678 -5.867 -5.821 1.00 0.00 C ATOM 0 H VAL B 102 4.122 -7.725 -4.766 1.00 0.00 H new ATOM 0 HA VAL B 102 2.951 -5.442 -5.898 1.00 0.00 H new ATOM 0 HB VAL B 102 4.941 -7.377 -7.133 1.00 0.00 H new ATOM 0 HG11 VAL B 102 5.649 -5.434 -8.485 1.00 0.00 H new ATOM 0 HG12 VAL B 102 3.953 -5.876 -8.793 1.00 0.00 H new ATOM 0 HG13 VAL B 102 4.335 -4.469 -7.772 1.00 0.00 H new ATOM 0 HG21 VAL B 102 6.660 -5.820 -6.292 1.00 0.00 H new ATOM 0 HG22 VAL B 102 5.392 -4.873 -5.479 1.00 0.00 H new ATOM 0 HG23 VAL B 102 5.716 -6.547 -4.970 1.00 0.00 H new ATOM 1627 N ASN B 103 2.082 -8.320 -7.207 1.00 0.00 N ATOM 1628 CA ASN B 103 1.138 -8.970 -8.113 1.00 0.00 C ATOM 1629 C ASN B 103 -0.289 -8.489 -7.847 1.00 0.00 C ATOM 1630 O ASN B 103 -1.154 -8.567 -8.719 1.00 0.00 O ATOM 1631 CB ASN B 103 1.218 -10.496 -7.988 1.00 0.00 C ATOM 1632 CG ASN B 103 2.254 -11.118 -8.916 1.00 0.00 C ATOM 1633 OD1 ASN B 103 1.958 -11.439 -10.068 1.00 0.00 O ATOM 1634 ND2 ASN B 103 3.466 -11.315 -8.420 1.00 0.00 N ATOM 0 H ASN B 103 2.573 -8.959 -6.582 1.00 0.00 H new ATOM 0 HA ASN B 103 1.411 -8.696 -9.132 1.00 0.00 H new ATOM 0 HB2 ASN B 103 1.458 -10.758 -6.958 1.00 0.00 H new ATOM 0 HB3 ASN B 103 0.240 -10.924 -8.206 1.00 0.00 H new ATOM 0 HD21 ASN B 103 4.189 -11.745 -8.997 1.00 0.00 H new ATOM 0 HD22 ASN B 103 3.676 -11.037 -7.461 1.00 0.00 H new ATOM 1641 N TYR B 104 -0.532 -7.986 -6.641 1.00 0.00 N ATOM 1642 CA TYR B 104 -1.809 -7.366 -6.322 1.00 0.00 C ATOM 1643 C TYR B 104 -1.847 -5.938 -6.848 1.00 0.00 C ATOM 1644 O TYR B 104 -2.860 -5.496 -7.387 1.00 0.00 O ATOM 1645 CB TYR B 104 -2.069 -7.385 -4.815 1.00 0.00 C ATOM 1646 CG TYR B 104 -2.807 -8.617 -4.340 1.00 0.00 C ATOM 1647 CD1 TYR B 104 -2.394 -9.889 -4.713 1.00 0.00 C ATOM 1648 CD2 TYR B 104 -3.926 -8.503 -3.524 1.00 0.00 C ATOM 1649 CE1 TYR B 104 -3.074 -11.012 -4.285 1.00 0.00 C ATOM 1650 CE2 TYR B 104 -4.611 -9.622 -3.093 1.00 0.00 C ATOM 1651 CZ TYR B 104 -4.180 -10.874 -3.475 1.00 0.00 C ATOM 1652 OH TYR B 104 -4.862 -11.994 -3.049 1.00 0.00 O ATOM 0 H TYR B 104 0.138 -7.996 -5.872 1.00 0.00 H new ATOM 0 HA TYR B 104 -2.597 -7.942 -6.807 1.00 0.00 H new ATOM 0 HB2 TYR B 104 -1.116 -7.318 -4.290 1.00 0.00 H new ATOM 0 HB3 TYR B 104 -2.645 -6.500 -4.544 1.00 0.00 H new ATOM 0 HD1 TYR B 104 -1.528 -10.002 -5.348 1.00 0.00 H new ATOM 0 HD2 TYR B 104 -4.266 -7.523 -3.222 1.00 0.00 H new ATOM 0 HE1 TYR B 104 -2.740 -11.995 -4.584 1.00 0.00 H new ATOM 0 HE2 TYR B 104 -5.480 -9.517 -2.460 1.00 0.00 H new ATOM 0 HH TYR B 104 -5.616 -11.723 -2.485 1.00 0.00 H new ATOM 1662 N LEU B 105 -0.733 -5.225 -6.717 1.00 0.00 N ATOM 1663 CA LEU B 105 -0.630 -3.873 -7.261 1.00 0.00 C ATOM 1664 C LEU B 105 -0.777 -3.896 -8.779 1.00 0.00 C ATOM 1665 O LEU B 105 -1.217 -2.921 -9.380 1.00 0.00 O ATOM 1666 CB LEU B 105 0.699 -3.202 -6.886 1.00 0.00 C ATOM 1667 CG LEU B 105 0.798 -2.636 -5.462 1.00 0.00 C ATOM 1668 CD1 LEU B 105 -0.400 -1.756 -5.142 1.00 0.00 C ATOM 1669 CD2 LEU B 105 0.931 -3.748 -4.439 1.00 0.00 C ATOM 0 H LEU B 105 0.107 -5.557 -6.242 1.00 0.00 H new ATOM 0 HA LEU B 105 -1.440 -3.290 -6.822 1.00 0.00 H new ATOM 0 HB2 LEU B 105 1.499 -3.929 -7.021 1.00 0.00 H new ATOM 0 HB3 LEU B 105 0.883 -2.391 -7.590 1.00 0.00 H new ATOM 0 HG LEU B 105 1.697 -2.021 -5.412 1.00 0.00 H new ATOM 0 HD11 LEU B 105 -0.306 -1.368 -4.128 1.00 0.00 H new ATOM 0 HD12 LEU B 105 -0.440 -0.925 -5.846 1.00 0.00 H new ATOM 0 HD13 LEU B 105 -1.315 -2.343 -5.222 1.00 0.00 H new ATOM 0 HD21 LEU B 105 0.999 -3.317 -3.440 1.00 0.00 H new ATOM 0 HD22 LEU B 105 0.059 -4.400 -4.494 1.00 0.00 H new ATOM 0 HD23 LEU B 105 1.831 -4.327 -4.646 1.00 0.00 H new ATOM 1681 N ASN B 106 -0.423 -5.017 -9.394 1.00 0.00 N ATOM 1682 CA ASN B 106 -0.583 -5.183 -10.837 1.00 0.00 C ATOM 1683 C ASN B 106 -2.053 -5.090 -11.230 1.00 0.00 C ATOM 1684 O ASN B 106 -2.384 -4.741 -12.362 1.00 0.00 O ATOM 1685 CB ASN B 106 -0.010 -6.527 -11.302 1.00 0.00 C ATOM 1686 CG ASN B 106 1.498 -6.616 -11.167 1.00 0.00 C ATOM 1687 OD1 ASN B 106 2.043 -7.691 -10.920 1.00 0.00 O ATOM 1688 ND2 ASN B 106 2.186 -5.499 -11.340 1.00 0.00 N ATOM 0 H ASN B 106 -0.023 -5.826 -8.918 1.00 0.00 H new ATOM 0 HA ASN B 106 -0.032 -4.379 -11.325 1.00 0.00 H new ATOM 0 HB2 ASN B 106 -0.468 -7.329 -10.723 1.00 0.00 H new ATOM 0 HB3 ASN B 106 -0.285 -6.690 -12.344 1.00 0.00 H new ATOM 0 HD21 ASN B 106 3.204 -5.511 -11.270 1.00 0.00 H new ATOM 0 HD22 ASN B 106 1.699 -4.626 -11.544 1.00 0.00 H new ATOM 1695 N THR B 107 -2.934 -5.388 -10.283 1.00 0.00 N ATOM 1696 CA THR B 107 -4.364 -5.347 -10.539 1.00 0.00 C ATOM 1697 C THR B 107 -4.972 -4.045 -10.030 1.00 0.00 C ATOM 1698 O THR B 107 -6.165 -3.800 -10.209 1.00 0.00 O ATOM 1699 CB THR B 107 -5.087 -6.544 -9.884 1.00 0.00 C ATOM 1700 OG1 THR B 107 -5.080 -6.431 -8.454 1.00 0.00 O ATOM 1701 CG2 THR B 107 -4.419 -7.846 -10.288 1.00 0.00 C ATOM 0 H THR B 107 -2.682 -5.660 -9.333 1.00 0.00 H new ATOM 0 HA THR B 107 -4.499 -5.406 -11.619 1.00 0.00 H new ATOM 0 HB THR B 107 -6.120 -6.540 -10.231 1.00 0.00 H new ATOM 0 HG1 THR B 107 -4.321 -5.879 -8.173 1.00 0.00 H new ATOM 0 HG21 THR B 107 -4.938 -8.682 -9.819 1.00 0.00 H new ATOM 0 HG22 THR B 107 -4.460 -7.955 -11.372 1.00 0.00 H new ATOM 0 HG23 THR B 107 -3.379 -7.837 -9.963 1.00 0.00 H new ATOM 1709 N LEU B 108 -4.142 -3.208 -9.409 1.00 0.00 N ATOM 1710 CA LEU B 108 -4.621 -1.973 -8.796 1.00 0.00 C ATOM 1711 C LEU B 108 -4.031 -0.737 -9.456 1.00 0.00 C ATOM 1712 O LEU B 108 -4.671 0.310 -9.510 1.00 0.00 O ATOM 1713 CB LEU B 108 -4.270 -1.927 -7.313 1.00 0.00 C ATOM 1714 CG LEU B 108 -4.820 -3.064 -6.470 1.00 0.00 C ATOM 1715 CD1 LEU B 108 -4.416 -2.885 -5.017 1.00 0.00 C ATOM 1716 CD2 LEU B 108 -6.336 -3.152 -6.611 1.00 0.00 C ATOM 0 H LEU B 108 -3.138 -3.363 -9.318 1.00 0.00 H new ATOM 0 HA LEU B 108 -5.703 -1.970 -8.932 1.00 0.00 H new ATOM 0 HB2 LEU B 108 -3.184 -1.919 -7.216 1.00 0.00 H new ATOM 0 HB3 LEU B 108 -4.634 -0.985 -6.902 1.00 0.00 H new ATOM 0 HG LEU B 108 -4.396 -4.002 -6.828 1.00 0.00 H new ATOM 0 HD11 LEU B 108 -4.817 -3.707 -4.424 1.00 0.00 H new ATOM 0 HD12 LEU B 108 -3.329 -2.878 -4.940 1.00 0.00 H new ATOM 0 HD13 LEU B 108 -4.812 -1.941 -4.643 1.00 0.00 H new ATOM 0 HD21 LEU B 108 -6.711 -3.973 -6.000 1.00 0.00 H new ATOM 0 HD22 LEU B 108 -6.787 -2.217 -6.280 1.00 0.00 H new ATOM 0 HD23 LEU B 108 -6.595 -3.330 -7.655 1.00 0.00 H new ATOM 1728 N ARG B 109 -2.809 -0.858 -9.941 1.00 0.00 N ATOM 1729 CA ARG B 109 -2.071 0.303 -10.409 1.00 0.00 C ATOM 1730 C ARG B 109 -2.357 0.601 -11.875 1.00 0.00 C ATOM 1731 O ARG B 109 -3.065 1.556 -12.192 1.00 0.00 O ATOM 1732 CB ARG B 109 -0.571 0.106 -10.188 1.00 0.00 C ATOM 1733 CG ARG B 109 0.244 1.356 -10.455 1.00 0.00 C ATOM 1734 CD ARG B 109 1.720 1.136 -10.181 1.00 0.00 C ATOM 1735 NE ARG B 109 2.490 2.357 -10.389 1.00 0.00 N ATOM 1736 CZ ARG B 109 3.783 2.488 -10.088 1.00 0.00 C ATOM 1737 NH1 ARG B 109 4.465 1.469 -9.577 1.00 0.00 N1+ ATOM 1738 NH2 ARG B 109 4.399 3.640 -10.298 1.00 0.00 N ATOM 0 H ARG B 109 -2.308 -1.743 -10.021 1.00 0.00 H new ATOM 0 HA ARG B 109 -2.406 1.162 -9.827 1.00 0.00 H new ATOM 0 HB2 ARG B 109 -0.402 -0.217 -9.161 1.00 0.00 H new ATOM 0 HB3 ARG B 109 -0.217 -0.695 -10.837 1.00 0.00 H new ATOM 0 HG2 ARG B 109 0.109 1.663 -11.492 1.00 0.00 H new ATOM 0 HG3 ARG B 109 -0.124 2.170 -9.831 1.00 0.00 H new ATOM 0 HD2 ARG B 109 1.853 0.791 -9.156 1.00 0.00 H new ATOM 0 HD3 ARG B 109 2.099 0.350 -10.834 1.00 0.00 H new ATOM 0 HE ARG B 109 2.009 3.162 -10.790 1.00 0.00 H new ATOM 0 HH11 ARG B 109 4.000 0.576 -9.411 1.00 0.00 H new ATOM 0 HH12 ARG B 109 5.453 1.579 -9.350 1.00 0.00 H new ATOM 0 HH21 ARG B 109 3.885 4.429 -10.690 1.00 0.00 H new ATOM 0 HH22 ARG B 109 5.388 3.739 -10.067 1.00 0.00 H new ATOM 1752 N TYR B 110 -1.820 -0.218 -12.769 1.00 0.00 N ATOM 1753 CA TYR B 110 -1.939 0.048 -14.194 1.00 0.00 C ATOM 1754 C TYR B 110 -2.538 -1.148 -14.921 1.00 0.00 C ATOM 1755 O TYR B 110 -1.975 -2.247 -14.898 1.00 0.00 O ATOM 1756 CB TYR B 110 -0.567 0.392 -14.782 1.00 0.00 C ATOM 1757 CG TYR B 110 -0.620 1.035 -16.152 1.00 0.00 C ATOM 1758 CD1 TYR B 110 -0.640 0.266 -17.309 1.00 0.00 C ATOM 1759 CD2 TYR B 110 -0.642 2.417 -16.285 1.00 0.00 C ATOM 1760 CE1 TYR B 110 -0.679 0.858 -18.557 1.00 0.00 C ATOM 1761 CE2 TYR B 110 -0.682 3.015 -17.528 1.00 0.00 C ATOM 1762 CZ TYR B 110 -0.701 2.233 -18.662 1.00 0.00 C ATOM 1763 OH TYR B 110 -0.735 2.827 -19.904 1.00 0.00 O ATOM 0 H TYR B 110 -1.302 -1.065 -12.535 1.00 0.00 H new ATOM 0 HA TYR B 110 -2.607 0.899 -14.329 1.00 0.00 H new ATOM 0 HB2 TYR B 110 -0.050 1.064 -14.098 1.00 0.00 H new ATOM 0 HB3 TYR B 110 0.028 -0.519 -14.844 1.00 0.00 H new ATOM 0 HD1 TYR B 110 -0.625 -0.811 -17.232 1.00 0.00 H new ATOM 0 HD2 TYR B 110 -0.628 3.035 -15.400 1.00 0.00 H new ATOM 0 HE1 TYR B 110 -0.692 0.246 -19.447 1.00 0.00 H new ATOM 0 HE2 TYR B 110 -0.698 4.092 -17.611 1.00 0.00 H new ATOM 0 HH TYR B 110 -0.748 3.801 -19.800 1.00 0.00 H new ATOM 1773 N GLY B 111 -3.683 -0.922 -15.557 1.00 0.00 N ATOM 1774 CA GLY B 111 -4.340 -1.962 -16.321 1.00 0.00 C ATOM 1775 C GLY B 111 -4.734 -3.150 -15.470 1.00 0.00 C ATOM 1776 O GLY B 111 -4.347 -4.285 -15.755 1.00 0.00 O ATOM 0 H GLY B 111 -4.171 -0.026 -15.555 1.00 0.00 H new ATOM 0 HA2 GLY B 111 -5.230 -1.550 -16.798 1.00 0.00 H new ATOM 0 HA3 GLY B 111 -3.676 -2.296 -17.119 1.00 0.00 H new ATOM 1780 N GLY B 112 -5.501 -2.898 -14.422 1.00 0.00 N ATOM 1781 CA GLY B 112 -5.915 -3.961 -13.549 1.00 0.00 C ATOM 1782 C GLY B 112 -7.364 -4.325 -13.746 1.00 0.00 C ATOM 1783 O GLY B 112 -8.007 -3.876 -14.693 1.00 0.00 O ATOM 0 H GLY B 112 -5.842 -1.972 -14.164 1.00 0.00 H new ATOM 0 HA2 GLY B 112 -5.294 -4.839 -13.727 1.00 0.00 H new ATOM 0 HA3 GLY B 112 -5.754 -3.662 -12.513 1.00 0.00 H new ATOM 1787 N ILE B 113 -7.870 -5.125 -12.835 1.00 0.00 N ATOM 1788 CA ILE B 113 -9.239 -5.617 -12.905 1.00 0.00 C ATOM 1789 C ILE B 113 -10.132 -4.865 -11.933 1.00 0.00 C ATOM 1790 O ILE B 113 -11.314 -4.645 -12.192 1.00 0.00 O ATOM 1791 CB ILE B 113 -9.295 -7.127 -12.600 1.00 0.00 C ATOM 1792 CG1 ILE B 113 -8.531 -7.438 -11.308 1.00 0.00 C ATOM 1793 CG2 ILE B 113 -8.722 -7.912 -13.767 1.00 0.00 C ATOM 1794 CD1 ILE B 113 -8.521 -8.902 -10.931 1.00 0.00 C ATOM 0 H ILE B 113 -7.350 -5.456 -12.023 1.00 0.00 H new ATOM 0 HA ILE B 113 -9.601 -5.449 -13.919 1.00 0.00 H new ATOM 0 HB ILE B 113 -10.335 -7.423 -12.459 1.00 0.00 H new ATOM 0 HG12 ILE B 113 -7.502 -7.095 -11.416 1.00 0.00 H new ATOM 0 HG13 ILE B 113 -8.973 -6.867 -10.491 1.00 0.00 H new ATOM 0 HG21 ILE B 113 -8.765 -8.978 -13.544 1.00 0.00 H new ATOM 0 HG22 ILE B 113 -9.304 -7.705 -14.665 1.00 0.00 H new ATOM 0 HG23 ILE B 113 -7.685 -7.617 -13.930 1.00 0.00 H new ATOM 0 HD11 ILE B 113 -7.960 -9.036 -10.006 1.00 0.00 H new ATOM 0 HD12 ILE B 113 -9.545 -9.248 -10.788 1.00 0.00 H new ATOM 0 HD13 ILE B 113 -8.051 -9.479 -11.727 1.00 0.00 H new ATOM 1806 N HIS B 114 -9.557 -4.480 -10.807 1.00 0.00 N ATOM 1807 CA HIS B 114 -10.255 -3.683 -9.813 1.00 0.00 C ATOM 1808 C HIS B 114 -9.389 -2.483 -9.474 1.00 0.00 C ATOM 1809 O HIS B 114 -9.259 -2.100 -8.311 1.00 0.00 O ATOM 1810 CB HIS B 114 -10.524 -4.498 -8.542 1.00 0.00 C ATOM 1811 CG HIS B 114 -11.171 -5.826 -8.784 1.00 0.00 C ATOM 1812 ND1 HIS B 114 -10.679 -7.002 -8.264 1.00 0.00 N ATOM 1813 CD2 HIS B 114 -12.277 -6.163 -9.486 1.00 0.00 C ATOM 1814 CE1 HIS B 114 -11.453 -8.003 -8.634 1.00 0.00 C ATOM 1815 NE2 HIS B 114 -12.432 -7.524 -9.376 1.00 0.00 N ATOM 0 H HIS B 114 -8.595 -4.710 -10.556 1.00 0.00 H new ATOM 0 HA HIS B 114 -11.216 -3.365 -10.217 1.00 0.00 H new ATOM 0 HB2 HIS B 114 -9.580 -4.657 -8.021 1.00 0.00 H new ATOM 0 HB3 HIS B 114 -11.160 -3.913 -7.878 1.00 0.00 H new ATOM 0 HD2 HIS B 114 -12.919 -5.488 -10.032 1.00 0.00 H new ATOM 0 HE1 HIS B 114 -11.309 -9.041 -8.373 1.00 0.00 H new ATOM 0 HE2 HIS B 114 -13.181 -8.073 -9.799 1.00 0.00 H new ATOM 1824 N TYR B 115 -8.788 -1.903 -10.502 1.00 0.00 N ATOM 1825 CA TYR B 115 -7.763 -0.898 -10.302 1.00 0.00 C ATOM 1826 C TYR B 115 -8.377 0.459 -10.008 1.00 0.00 C ATOM 1827 O TYR B 115 -9.382 0.851 -10.602 1.00 0.00 O ATOM 1828 CB TYR B 115 -6.805 -0.851 -11.511 1.00 0.00 C ATOM 1829 CG TYR B 115 -6.959 0.345 -12.429 1.00 0.00 C ATOM 1830 CD1 TYR B 115 -6.284 1.534 -12.170 1.00 0.00 C ATOM 1831 CD2 TYR B 115 -7.764 0.282 -13.556 1.00 0.00 C ATOM 1832 CE1 TYR B 115 -6.412 2.625 -13.006 1.00 0.00 C ATOM 1833 CE2 TYR B 115 -7.895 1.369 -14.399 1.00 0.00 C ATOM 1834 CZ TYR B 115 -7.219 2.538 -14.119 1.00 0.00 C ATOM 1835 OH TYR B 115 -7.350 3.622 -14.957 1.00 0.00 O ATOM 0 H TYR B 115 -8.994 -2.112 -11.479 1.00 0.00 H new ATOM 0 HA TYR B 115 -7.174 -1.175 -9.428 1.00 0.00 H new ATOM 0 HB2 TYR B 115 -5.780 -0.870 -11.140 1.00 0.00 H new ATOM 0 HB3 TYR B 115 -6.948 -1.757 -12.099 1.00 0.00 H new ATOM 0 HD1 TYR B 115 -5.649 1.604 -11.299 1.00 0.00 H new ATOM 0 HD2 TYR B 115 -8.297 -0.631 -13.778 1.00 0.00 H new ATOM 0 HE1 TYR B 115 -5.883 3.541 -12.789 1.00 0.00 H new ATOM 0 HE2 TYR B 115 -8.525 1.303 -15.274 1.00 0.00 H new ATOM 0 HH TYR B 115 -7.954 3.394 -15.695 1.00 0.00 H new ATOM 1845 N ASN B 116 -7.774 1.156 -9.063 1.00 0.00 N ATOM 1846 CA ASN B 116 -8.219 2.482 -8.686 1.00 0.00 C ATOM 1847 C ASN B 116 -7.150 3.480 -9.077 1.00 0.00 C ATOM 1848 O ASN B 116 -5.959 3.235 -8.870 1.00 0.00 O ATOM 1849 CB ASN B 116 -8.467 2.583 -7.176 1.00 0.00 C ATOM 1850 CG ASN B 116 -9.343 1.474 -6.615 1.00 0.00 C ATOM 1851 OD1 ASN B 116 -10.250 0.950 -7.424 1.00 0.00 O flip ATOM 1852 ND2 ASN B 116 -9.202 1.091 -5.452 1.00 0.00 N flip ATOM 0 H ASN B 116 -6.966 0.820 -8.538 1.00 0.00 H new ATOM 0 HA ASN B 116 -9.157 2.692 -9.200 1.00 0.00 H new ATOM 0 HB2 ASN B 116 -7.507 2.570 -6.659 1.00 0.00 H new ATOM 0 HB3 ASN B 116 -8.933 3.544 -6.959 1.00 0.00 H new ATOM 0 HD21 ASN B 116 -8.492 1.518 -4.857 1.00 0.00 H new ATOM 0 HD22 ASN B 116 -9.795 0.347 -5.085 1.00 0.00 H new ATOM 1859 N GLU B 117 -7.570 4.606 -9.636 1.00 0.00 N ATOM 1860 CA GLU B 117 -6.638 5.647 -10.041 1.00 0.00 C ATOM 1861 C GLU B 117 -5.859 6.160 -8.837 1.00 0.00 C ATOM 1862 O GLU B 117 -4.738 6.645 -8.977 1.00 0.00 O ATOM 1863 CB GLU B 117 -7.376 6.803 -10.724 1.00 0.00 C ATOM 1864 CG GLU B 117 -8.299 7.575 -9.798 1.00 0.00 C ATOM 1865 CD GLU B 117 -8.949 8.757 -10.480 1.00 0.00 C ATOM 1866 OE1 GLU B 117 -8.232 9.714 -10.832 1.00 0.00 O ATOM 1867 OE2 GLU B 117 -10.183 8.738 -10.661 1.00 0.00 O1- ATOM 0 H GLU B 117 -8.550 4.821 -9.819 1.00 0.00 H new ATOM 0 HA GLU B 117 -5.937 5.216 -10.756 1.00 0.00 H new ATOM 0 HB2 GLU B 117 -6.643 7.490 -11.146 1.00 0.00 H new ATOM 0 HB3 GLU B 117 -7.959 6.408 -11.556 1.00 0.00 H new ATOM 0 HG2 GLU B 117 -9.073 6.906 -9.422 1.00 0.00 H new ATOM 0 HG3 GLU B 117 -7.733 7.924 -8.935 1.00 0.00 H new ATOM 1874 N ALA B 118 -6.457 6.023 -7.654 1.00 0.00 N ATOM 1875 CA ALA B 118 -5.820 6.452 -6.420 1.00 0.00 C ATOM 1876 C ALA B 118 -4.620 5.575 -6.088 1.00 0.00 C ATOM 1877 O ALA B 118 -3.670 6.032 -5.464 1.00 0.00 O ATOM 1878 CB ALA B 118 -6.814 6.439 -5.269 1.00 0.00 C ATOM 0 H ALA B 118 -7.384 5.617 -7.529 1.00 0.00 H new ATOM 0 HA ALA B 118 -5.467 7.473 -6.566 1.00 0.00 H new ATOM 0 HB1 ALA B 118 -6.317 6.763 -4.355 1.00 0.00 H new ATOM 0 HB2 ALA B 118 -7.639 7.115 -5.493 1.00 0.00 H new ATOM 0 HB3 ALA B 118 -7.200 5.429 -5.133 1.00 0.00 H new ATOM 1884 N ILE B 119 -4.660 4.319 -6.520 1.00 0.00 N ATOM 1885 CA ILE B 119 -3.551 3.403 -6.281 1.00 0.00 C ATOM 1886 C ILE B 119 -2.369 3.788 -7.162 1.00 0.00 C ATOM 1887 O ILE B 119 -1.213 3.721 -6.738 1.00 0.00 O ATOM 1888 CB ILE B 119 -3.947 1.931 -6.543 1.00 0.00 C ATOM 1889 CG1 ILE B 119 -5.140 1.537 -5.665 1.00 0.00 C ATOM 1890 CG2 ILE B 119 -2.764 1.004 -6.290 1.00 0.00 C ATOM 1891 CD1 ILE B 119 -4.850 1.559 -4.179 1.00 0.00 C ATOM 0 H ILE B 119 -5.443 3.914 -7.034 1.00 0.00 H new ATOM 0 HA ILE B 119 -3.273 3.485 -5.230 1.00 0.00 H new ATOM 0 HB ILE B 119 -4.239 1.832 -7.588 1.00 0.00 H new ATOM 0 HG12 ILE B 119 -5.969 2.214 -5.872 1.00 0.00 H new ATOM 0 HG13 ILE B 119 -5.468 0.536 -5.945 1.00 0.00 H new ATOM 0 HG21 ILE B 119 -3.063 -0.027 -6.480 1.00 0.00 H new ATOM 0 HG22 ILE B 119 -1.943 1.272 -6.955 1.00 0.00 H new ATOM 0 HG23 ILE B 119 -2.439 1.103 -5.254 1.00 0.00 H new ATOM 0 HD11 ILE B 119 -5.745 1.268 -3.629 1.00 0.00 H new ATOM 0 HD12 ILE B 119 -4.044 0.860 -3.955 1.00 0.00 H new ATOM 0 HD13 ILE B 119 -4.552 2.564 -3.881 1.00 0.00 H new ATOM 1903 N GLU B 120 -2.670 4.212 -8.384 1.00 0.00 N ATOM 1904 CA GLU B 120 -1.645 4.732 -9.278 1.00 0.00 C ATOM 1905 C GLU B 120 -1.070 6.022 -8.702 1.00 0.00 C ATOM 1906 O GLU B 120 0.147 6.188 -8.629 1.00 0.00 O ATOM 1907 CB GLU B 120 -2.217 4.981 -10.677 1.00 0.00 C ATOM 1908 CG GLU B 120 -1.202 5.531 -11.673 1.00 0.00 C ATOM 1909 CD GLU B 120 -0.113 4.533 -12.032 1.00 0.00 C ATOM 1910 OE1 GLU B 120 0.893 4.443 -11.297 1.00 0.00 O1- ATOM 1911 OE2 GLU B 120 -0.250 3.846 -13.065 1.00 0.00 O ATOM 0 H GLU B 120 -3.612 4.206 -8.776 1.00 0.00 H new ATOM 0 HA GLU B 120 -0.849 3.992 -9.367 1.00 0.00 H new ATOM 0 HB2 GLU B 120 -2.621 4.046 -11.065 1.00 0.00 H new ATOM 0 HB3 GLU B 120 -3.050 5.680 -10.599 1.00 0.00 H new ATOM 0 HG2 GLU B 120 -1.722 5.834 -12.582 1.00 0.00 H new ATOM 0 HG3 GLU B 120 -0.742 6.427 -11.256 1.00 0.00 H new ATOM 1918 N GLU B 121 -1.956 6.919 -8.263 1.00 0.00 N ATOM 1919 CA GLU B 121 -1.535 8.164 -7.622 1.00 0.00 C ATOM 1920 C GLU B 121 -0.647 7.856 -6.424 1.00 0.00 C ATOM 1921 O GLU B 121 0.402 8.471 -6.242 1.00 0.00 O ATOM 1922 CB GLU B 121 -2.747 8.981 -7.156 1.00 0.00 C ATOM 1923 CG GLU B 121 -3.679 9.418 -8.275 1.00 0.00 C ATOM 1924 CD GLU B 121 -3.010 10.330 -9.279 1.00 0.00 C ATOM 1925 OE1 GLU B 121 -2.914 11.547 -9.017 1.00 0.00 O1- ATOM 1926 OE2 GLU B 121 -2.583 9.837 -10.345 1.00 0.00 O ATOM 0 H GLU B 121 -2.967 6.806 -8.340 1.00 0.00 H new ATOM 0 HA GLU B 121 -0.979 8.749 -8.355 1.00 0.00 H new ATOM 0 HB2 GLU B 121 -3.314 8.389 -6.438 1.00 0.00 H new ATOM 0 HB3 GLU B 121 -2.392 9.867 -6.629 1.00 0.00 H new ATOM 0 HG2 GLU B 121 -4.058 8.535 -8.790 1.00 0.00 H new ATOM 0 HG3 GLU B 121 -4.540 9.930 -7.844 1.00 0.00 H new ATOM 1933 N PHE B 122 -1.080 6.885 -5.626 1.00 0.00 N ATOM 1934 CA PHE B 122 -0.348 6.454 -4.444 1.00 0.00 C ATOM 1935 C PHE B 122 1.081 6.090 -4.808 1.00 0.00 C ATOM 1936 O PHE B 122 2.032 6.651 -4.269 1.00 0.00 O ATOM 1937 CB PHE B 122 -1.050 5.246 -3.819 1.00 0.00 C ATOM 1938 CG PHE B 122 -0.377 4.709 -2.587 1.00 0.00 C ATOM 1939 CD1 PHE B 122 -0.640 5.256 -1.342 1.00 0.00 C ATOM 1940 CD2 PHE B 122 0.517 3.653 -2.674 1.00 0.00 C ATOM 1941 CE1 PHE B 122 -0.024 4.763 -0.209 1.00 0.00 C ATOM 1942 CE2 PHE B 122 1.137 3.157 -1.544 1.00 0.00 C ATOM 1943 CZ PHE B 122 0.865 3.712 -0.309 1.00 0.00 C ATOM 0 H PHE B 122 -1.950 6.375 -5.782 1.00 0.00 H new ATOM 0 HA PHE B 122 -0.325 7.273 -3.725 1.00 0.00 H new ATOM 0 HB2 PHE B 122 -2.073 5.525 -3.568 1.00 0.00 H new ATOM 0 HB3 PHE B 122 -1.110 4.451 -4.562 1.00 0.00 H new ATOM 0 HD1 PHE B 122 -1.335 6.078 -1.256 1.00 0.00 H new ATOM 0 HD2 PHE B 122 0.731 3.213 -3.637 1.00 0.00 H new ATOM 0 HE1 PHE B 122 -0.238 5.200 0.755 1.00 0.00 H new ATOM 0 HE2 PHE B 122 1.834 2.336 -1.626 1.00 0.00 H new ATOM 0 HZ PHE B 122 1.347 3.325 0.576 1.00 0.00 H new ATOM 1953 N CYS B 123 1.214 5.161 -5.742 1.00 0.00 N ATOM 1954 CA CYS B 123 2.515 4.688 -6.172 1.00 0.00 C ATOM 1955 C CYS B 123 3.354 5.828 -6.743 1.00 0.00 C ATOM 1956 O CYS B 123 4.514 5.992 -6.376 1.00 0.00 O ATOM 1957 CB CYS B 123 2.348 3.583 -7.216 1.00 0.00 C ATOM 1958 SG CYS B 123 1.339 2.190 -6.660 1.00 0.00 S ATOM 0 H CYS B 123 0.428 4.718 -6.218 1.00 0.00 H new ATOM 0 HA CYS B 123 3.037 4.287 -5.303 1.00 0.00 H new ATOM 0 HB2 CYS B 123 1.897 4.010 -8.112 1.00 0.00 H new ATOM 0 HB3 CYS B 123 3.334 3.214 -7.500 1.00 0.00 H new ATOM 0 HG CYS B 123 0.113 2.585 -6.483 1.00 0.00 H new ATOM 1964 N GLN B 124 2.748 6.635 -7.609 1.00 0.00 N ATOM 1965 CA GLN B 124 3.472 7.700 -8.300 1.00 0.00 C ATOM 1966 C GLN B 124 4.011 8.740 -7.325 1.00 0.00 C ATOM 1967 O GLN B 124 5.206 9.044 -7.327 1.00 0.00 O ATOM 1968 CB GLN B 124 2.578 8.389 -9.334 1.00 0.00 C ATOM 1969 CG GLN B 124 2.181 7.497 -10.497 1.00 0.00 C ATOM 1970 CD GLN B 124 3.373 6.917 -11.234 1.00 0.00 C ATOM 1971 OE1 GLN B 124 3.184 5.750 -11.824 1.00 0.00 O flip ATOM 1972 NE2 GLN B 124 4.451 7.510 -11.274 1.00 0.00 N flip ATOM 0 H GLN B 124 1.759 6.573 -7.850 1.00 0.00 H new ATOM 0 HA GLN B 124 4.315 7.231 -8.808 1.00 0.00 H new ATOM 0 HB2 GLN B 124 1.675 8.746 -8.839 1.00 0.00 H new ATOM 0 HB3 GLN B 124 3.097 9.265 -9.722 1.00 0.00 H new ATOM 0 HG2 GLN B 124 1.559 6.682 -10.127 1.00 0.00 H new ATOM 0 HG3 GLN B 124 1.573 8.071 -11.196 1.00 0.00 H new ATOM 0 HE21 GLN B 124 4.556 8.410 -10.805 1.00 0.00 H new ATOM 0 HE22 GLN B 124 5.239 7.102 -11.776 1.00 0.00 H new ATOM 1981 N ILE B 125 3.129 9.283 -6.497 1.00 0.00 N ATOM 1982 CA ILE B 125 3.504 10.334 -5.560 1.00 0.00 C ATOM 1983 C ILE B 125 4.504 9.813 -4.536 1.00 0.00 C ATOM 1984 O ILE B 125 5.474 10.492 -4.193 1.00 0.00 O ATOM 1985 CB ILE B 125 2.264 10.894 -4.830 1.00 0.00 C ATOM 1986 CG1 ILE B 125 1.248 11.425 -5.845 1.00 0.00 C ATOM 1987 CG2 ILE B 125 2.666 11.994 -3.858 1.00 0.00 C ATOM 1988 CD1 ILE B 125 -0.113 11.701 -5.247 1.00 0.00 C ATOM 0 H ILE B 125 2.146 9.012 -6.455 1.00 0.00 H new ATOM 0 HA ILE B 125 3.967 11.136 -6.135 1.00 0.00 H new ATOM 0 HB ILE B 125 1.803 10.086 -4.262 1.00 0.00 H new ATOM 0 HG12 ILE B 125 1.634 12.343 -6.288 1.00 0.00 H new ATOM 0 HG13 ILE B 125 1.141 10.701 -6.653 1.00 0.00 H new ATOM 0 HG21 ILE B 125 1.779 12.376 -3.353 1.00 0.00 H new ATOM 0 HG22 ILE B 125 3.359 11.591 -3.119 1.00 0.00 H new ATOM 0 HG23 ILE B 125 3.149 12.804 -4.405 1.00 0.00 H new ATOM 0 HD11 ILE B 125 -0.782 12.074 -6.022 1.00 0.00 H new ATOM 0 HD12 ILE B 125 -0.520 10.780 -4.829 1.00 0.00 H new ATOM 0 HD13 ILE B 125 -0.019 12.447 -4.458 1.00 0.00 H new ATOM 2000 N LEU B 126 4.274 8.594 -4.071 1.00 0.00 N ATOM 2001 CA LEU B 126 5.120 7.993 -3.056 1.00 0.00 C ATOM 2002 C LEU B 126 6.509 7.677 -3.603 1.00 0.00 C ATOM 2003 O LEU B 126 7.520 8.034 -2.993 1.00 0.00 O ATOM 2004 CB LEU B 126 4.479 6.718 -2.521 1.00 0.00 C ATOM 2005 CG LEU B 126 5.250 6.038 -1.398 1.00 0.00 C ATOM 2006 CD1 LEU B 126 5.470 7.004 -0.250 1.00 0.00 C ATOM 2007 CD2 LEU B 126 4.519 4.792 -0.935 1.00 0.00 C ATOM 0 H LEU B 126 3.505 8.001 -4.383 1.00 0.00 H new ATOM 0 HA LEU B 126 5.227 8.715 -2.246 1.00 0.00 H new ATOM 0 HB2 LEU B 126 3.477 6.954 -2.163 1.00 0.00 H new ATOM 0 HB3 LEU B 126 4.365 6.012 -3.344 1.00 0.00 H new ATOM 0 HG LEU B 126 6.227 5.734 -1.774 1.00 0.00 H new ATOM 0 HD11 LEU B 126 6.022 6.504 0.546 1.00 0.00 H new ATOM 0 HD12 LEU B 126 6.040 7.864 -0.602 1.00 0.00 H new ATOM 0 HD13 LEU B 126 4.506 7.339 0.133 1.00 0.00 H new ATOM 0 HD21 LEU B 126 5.082 4.317 -0.132 1.00 0.00 H new ATOM 0 HD22 LEU B 126 3.529 5.065 -0.571 1.00 0.00 H new ATOM 0 HD23 LEU B 126 4.420 4.097 -1.769 1.00 0.00 H new ATOM 2019 N LEU B 127 6.562 7.020 -4.761 1.00 0.00 N ATOM 2020 CA LEU B 127 7.834 6.570 -5.309 1.00 0.00 C ATOM 2021 C LEU B 127 8.698 7.763 -5.676 1.00 0.00 C ATOM 2022 O LEU B 127 9.920 7.690 -5.616 1.00 0.00 O ATOM 2023 CB LEU B 127 7.633 5.650 -6.531 1.00 0.00 C ATOM 2024 CG LEU B 127 7.322 6.337 -7.874 1.00 0.00 C ATOM 2025 CD1 LEU B 127 8.601 6.749 -8.597 1.00 0.00 C ATOM 2026 CD2 LEU B 127 6.500 5.421 -8.760 1.00 0.00 C ATOM 0 H LEU B 127 5.747 6.791 -5.330 1.00 0.00 H new ATOM 0 HA LEU B 127 8.342 5.987 -4.540 1.00 0.00 H new ATOM 0 HB2 LEU B 127 8.535 5.051 -6.657 1.00 0.00 H new ATOM 0 HB3 LEU B 127 6.820 4.960 -6.306 1.00 0.00 H new ATOM 0 HG LEU B 127 6.747 7.238 -7.659 1.00 0.00 H new ATOM 0 HD11 LEU B 127 8.346 7.231 -9.541 1.00 0.00 H new ATOM 0 HD12 LEU B 127 9.163 7.445 -7.974 1.00 0.00 H new ATOM 0 HD13 LEU B 127 9.209 5.866 -8.793 1.00 0.00 H new ATOM 0 HD21 LEU B 127 6.289 5.922 -9.705 1.00 0.00 H new ATOM 0 HD22 LEU B 127 7.057 4.504 -8.952 1.00 0.00 H new ATOM 0 HD23 LEU B 127 5.562 5.178 -8.261 1.00 0.00 H new ATOM 2038 N ASP B 128 8.049 8.861 -6.045 1.00 0.00 N ATOM 2039 CA ASP B 128 8.744 10.074 -6.455 1.00 0.00 C ATOM 2040 C ASP B 128 9.729 10.515 -5.387 1.00 0.00 C ATOM 2041 O ASP B 128 10.892 10.810 -5.672 1.00 0.00 O ATOM 2042 CB ASP B 128 7.738 11.194 -6.704 1.00 0.00 C ATOM 2043 CG ASP B 128 8.379 12.419 -7.324 1.00 0.00 C ATOM 2044 OD1 ASP B 128 8.431 12.501 -8.570 1.00 0.00 O1- ATOM 2045 OD2 ASP B 128 8.831 13.307 -6.574 1.00 0.00 O ATOM 0 H ASP B 128 7.032 8.935 -6.068 1.00 0.00 H new ATOM 0 HA ASP B 128 9.289 9.859 -7.374 1.00 0.00 H new ATOM 0 HB2 ASP B 128 6.948 10.829 -7.360 1.00 0.00 H new ATOM 0 HB3 ASP B 128 7.267 11.472 -5.761 1.00 0.00 H new ATOM 2050 N LYS B 129 9.259 10.527 -4.152 1.00 0.00 N ATOM 2051 CA LYS B 129 10.072 10.969 -3.036 1.00 0.00 C ATOM 2052 C LYS B 129 10.943 9.829 -2.511 1.00 0.00 C ATOM 2053 O LYS B 129 12.003 10.064 -1.934 1.00 0.00 O ATOM 2054 CB LYS B 129 9.178 11.534 -1.934 1.00 0.00 C ATOM 2055 CG LYS B 129 8.269 12.661 -2.409 1.00 0.00 C ATOM 2056 CD LYS B 129 9.064 13.806 -3.020 1.00 0.00 C ATOM 2057 CE LYS B 129 8.152 14.872 -3.606 1.00 0.00 C ATOM 2058 NZ LYS B 129 7.356 15.567 -2.563 1.00 0.00 N1+ ATOM 0 H LYS B 129 8.316 10.235 -3.898 1.00 0.00 H new ATOM 0 HA LYS B 129 10.740 11.759 -3.379 1.00 0.00 H new ATOM 0 HB2 LYS B 129 8.565 10.730 -1.526 1.00 0.00 H new ATOM 0 HB3 LYS B 129 9.804 11.901 -1.121 1.00 0.00 H new ATOM 0 HG2 LYS B 129 7.564 12.274 -3.145 1.00 0.00 H new ATOM 0 HG3 LYS B 129 7.682 13.033 -1.570 1.00 0.00 H new ATOM 0 HD2 LYS B 129 9.704 14.252 -2.259 1.00 0.00 H new ATOM 0 HD3 LYS B 129 9.720 13.419 -3.800 1.00 0.00 H new ATOM 0 HE2 LYS B 129 8.752 15.602 -4.149 1.00 0.00 H new ATOM 0 HE3 LYS B 129 7.478 14.413 -4.329 1.00 0.00 H new ATOM 0 HZ1 LYS B 129 6.813 16.340 -2.998 1.00 0.00 H new ATOM 0 HZ2 LYS B 129 6.701 14.892 -2.119 1.00 0.00 H new ATOM 0 HZ3 LYS B 129 7.995 15.956 -1.841 1.00 0.00 H new ATOM 2072 N LEU B 130 10.504 8.593 -2.729 1.00 0.00 N ATOM 2073 CA LEU B 130 11.309 7.425 -2.368 1.00 0.00 C ATOM 2074 C LEU B 130 12.490 7.267 -3.323 1.00 0.00 C ATOM 2075 O LEU B 130 13.513 6.684 -2.976 1.00 0.00 O ATOM 2076 CB LEU B 130 10.462 6.151 -2.367 1.00 0.00 C ATOM 2077 CG LEU B 130 9.454 6.034 -1.222 1.00 0.00 C ATOM 2078 CD1 LEU B 130 8.634 4.766 -1.366 1.00 0.00 C ATOM 2079 CD2 LEU B 130 10.166 6.049 0.123 1.00 0.00 C ATOM 0 H LEU B 130 9.602 8.372 -3.151 1.00 0.00 H new ATOM 0 HA LEU B 130 11.691 7.585 -1.360 1.00 0.00 H new ATOM 0 HB2 LEU B 130 9.921 6.094 -3.312 1.00 0.00 H new ATOM 0 HB3 LEU B 130 11.130 5.291 -2.330 1.00 0.00 H new ATOM 0 HG LEU B 130 8.783 6.892 -1.268 1.00 0.00 H new ATOM 0 HD11 LEU B 130 7.922 4.698 -0.544 1.00 0.00 H new ATOM 0 HD12 LEU B 130 8.094 4.787 -2.313 1.00 0.00 H new ATOM 0 HD13 LEU B 130 9.296 3.900 -1.345 1.00 0.00 H new ATOM 0 HD21 LEU B 130 9.432 5.965 0.924 1.00 0.00 H new ATOM 0 HD22 LEU B 130 10.860 5.210 0.177 1.00 0.00 H new ATOM 0 HD23 LEU B 130 10.717 6.983 0.233 1.00 0.00 H new ATOM 2091 N ASN B 131 12.341 7.783 -4.532 1.00 0.00 N ATOM 2092 CA ASN B 131 13.432 7.799 -5.499 1.00 0.00 C ATOM 2093 C ASN B 131 14.344 8.985 -5.229 1.00 0.00 C ATOM 2094 O ASN B 131 15.469 9.050 -5.725 1.00 0.00 O ATOM 2095 CB ASN B 131 12.898 7.875 -6.937 1.00 0.00 C ATOM 2096 CG ASN B 131 12.376 6.547 -7.463 1.00 0.00 C ATOM 2097 OD1 ASN B 131 11.878 5.700 -6.580 1.00 0.00 O flip ATOM 2098 ND2 ASN B 131 12.417 6.290 -8.666 1.00 0.00 N flip ATOM 0 H ASN B 131 11.473 8.198 -4.870 1.00 0.00 H new ATOM 0 HA ASN B 131 13.994 6.871 -5.391 1.00 0.00 H new ATOM 0 HB2 ASN B 131 12.097 8.613 -6.980 1.00 0.00 H new ATOM 0 HB3 ASN B 131 13.693 8.229 -7.593 1.00 0.00 H new ATOM 0 HD21 ASN B 131 12.809 6.968 -9.319 1.00 0.00 H new ATOM 0 HD22 ASN B 131 12.059 5.399 -9.010 1.00 0.00 H new ATOM 2105 N ALA B 132 13.852 9.917 -4.427 1.00 0.00 N ATOM 2106 CA ALA B 132 14.594 11.131 -4.125 1.00 0.00 C ATOM 2107 C ALA B 132 15.245 11.073 -2.751 1.00 0.00 C ATOM 2108 O ALA B 132 15.883 12.031 -2.318 1.00 0.00 O ATOM 2109 CB ALA B 132 13.683 12.342 -4.233 1.00 0.00 C ATOM 0 H ALA B 132 12.941 9.855 -3.973 1.00 0.00 H new ATOM 0 HA ALA B 132 15.395 11.220 -4.859 1.00 0.00 H new ATOM 0 HB1 ALA B 132 14.249 13.245 -4.005 1.00 0.00 H new ATOM 0 HB2 ALA B 132 13.286 12.409 -5.246 1.00 0.00 H new ATOM 0 HB3 ALA B 132 12.859 12.242 -3.526 1.00 0.00 H new ATOM 2115 N VAL B 133 15.093 9.951 -2.065 1.00 0.00 N ATOM 2116 CA VAL B 133 15.716 9.782 -0.761 1.00 0.00 C ATOM 2117 C VAL B 133 16.995 8.967 -0.900 1.00 0.00 C ATOM 2118 O VAL B 133 17.910 9.062 -0.085 1.00 0.00 O ATOM 2119 CB VAL B 133 14.765 9.106 0.254 1.00 0.00 C ATOM 2120 CG1 VAL B 133 14.318 7.741 -0.237 1.00 0.00 C ATOM 2121 CG2 VAL B 133 15.430 8.993 1.615 1.00 0.00 C ATOM 0 H VAL B 133 14.549 9.150 -2.385 1.00 0.00 H new ATOM 0 HA VAL B 133 15.952 10.775 -0.377 1.00 0.00 H new ATOM 0 HB VAL B 133 13.879 9.733 0.352 1.00 0.00 H new ATOM 0 HG11 VAL B 133 13.651 7.291 0.498 1.00 0.00 H new ATOM 0 HG12 VAL B 133 13.793 7.850 -1.186 1.00 0.00 H new ATOM 0 HG13 VAL B 133 15.189 7.101 -0.376 1.00 0.00 H new ATOM 0 HG21 VAL B 133 14.746 8.515 2.316 1.00 0.00 H new ATOM 0 HG22 VAL B 133 16.337 8.395 1.528 1.00 0.00 H new ATOM 0 HG23 VAL B 133 15.685 9.988 1.979 1.00 0.00 H new ATOM 2131 N LYS B 134 17.053 8.179 -1.959 1.00 0.00 N ATOM 2132 CA LYS B 134 18.225 7.375 -2.246 1.00 0.00 C ATOM 2133 C LYS B 134 19.261 8.220 -2.969 1.00 0.00 C ATOM 2134 O LYS B 134 19.057 8.613 -4.120 1.00 0.00 O ATOM 2135 CB LYS B 134 17.845 6.163 -3.100 1.00 0.00 C ATOM 2136 CG LYS B 134 16.647 5.395 -2.564 1.00 0.00 C ATOM 2137 CD LYS B 134 16.422 4.073 -3.295 1.00 0.00 C ATOM 2138 CE LYS B 134 16.038 4.258 -4.761 1.00 0.00 C ATOM 2139 NZ LYS B 134 17.217 4.482 -5.643 1.00 0.00 N1+ ATOM 0 H LYS B 134 16.297 8.079 -2.637 1.00 0.00 H new ATOM 0 HA LYS B 134 18.646 7.017 -1.307 1.00 0.00 H new ATOM 0 HB2 LYS B 134 17.628 6.497 -4.115 1.00 0.00 H new ATOM 0 HB3 LYS B 134 18.700 5.490 -3.162 1.00 0.00 H new ATOM 0 HG2 LYS B 134 16.792 5.198 -1.502 1.00 0.00 H new ATOM 0 HG3 LYS B 134 15.754 6.013 -2.655 1.00 0.00 H new ATOM 0 HD2 LYS B 134 17.330 3.473 -3.236 1.00 0.00 H new ATOM 0 HD3 LYS B 134 15.636 3.513 -2.788 1.00 0.00 H new ATOM 0 HE2 LYS B 134 15.496 3.377 -5.104 1.00 0.00 H new ATOM 0 HE3 LYS B 134 15.358 5.105 -4.849 1.00 0.00 H new ATOM 0 HZ1 LYS B 134 17.180 5.445 -6.035 1.00 0.00 H new ATOM 0 HZ2 LYS B 134 18.091 4.367 -5.091 1.00 0.00 H new ATOM 0 HZ3 LYS B 134 17.205 3.791 -6.420 1.00 0.00 H new ATOM 2153 N LYS B 135 20.349 8.524 -2.282 1.00 0.00 N ATOM 2154 CA LYS B 135 21.417 9.319 -2.868 1.00 0.00 C ATOM 2155 C LYS B 135 22.293 8.451 -3.766 1.00 0.00 C ATOM 2156 O LYS B 135 23.434 8.138 -3.366 1.00 0.00 O ATOM 2157 CB LYS B 135 22.278 9.981 -1.779 1.00 0.00 C ATOM 2158 CG LYS B 135 21.540 11.004 -0.924 1.00 0.00 C ATOM 2159 CD LYS B 135 20.686 10.341 0.145 1.00 0.00 C ATOM 2160 CE LYS B 135 19.899 11.363 0.948 1.00 0.00 C ATOM 2161 NZ LYS B 135 19.017 10.712 1.953 1.00 0.00 N1+ ATOM 2162 OXT LYS B 135 21.832 8.067 -4.862 1.00 0.00 O ATOM 0 H LYS B 135 20.517 8.233 -1.319 1.00 0.00 H new ATOM 0 HA LYS B 135 20.958 10.105 -3.467 1.00 0.00 H new ATOM 0 HB2 LYS B 135 22.679 9.204 -1.128 1.00 0.00 H new ATOM 0 HB3 LYS B 135 23.129 10.469 -2.254 1.00 0.00 H new ATOM 0 HG2 LYS B 135 22.262 11.669 -0.451 1.00 0.00 H new ATOM 0 HG3 LYS B 135 20.908 11.622 -1.562 1.00 0.00 H new ATOM 0 HD2 LYS B 135 19.998 9.638 -0.323 1.00 0.00 H new ATOM 0 HD3 LYS B 135 21.324 9.765 0.815 1.00 0.00 H new ATOM 0 HE2 LYS B 135 20.589 12.039 1.453 1.00 0.00 H new ATOM 0 HE3 LYS B 135 19.296 11.970 0.273 1.00 0.00 H new ATOM 0 HZ1 LYS B 135 18.410 11.429 2.399 1.00 0.00 H new ATOM 0 HZ2 LYS B 135 18.423 9.999 1.484 1.00 0.00 H new ATOM 0 HZ3 LYS B 135 19.600 10.252 2.681 1.00 0.00 H new TER 2176 LYS B 135