USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 778 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 28 TYR OH : rot 180:sc= 0.33 USER MOD Set 1.2: A 94 LYS NZ :NH3+ 145:sc= 1.93 (180deg=-1.51) USER MOD Set 2.1: A 81 ASN : amide:sc= -0.503 K(o=-0.22,f=-6.2!) USER MOD Set 2.2: A 82 THR OG1 : rot 62:sc= 0.287 USER MOD Set 3.1: A 31 GLN :FLIP amide:sc= -0.169 F(o=-4.8,f=-3.3) USER MOD Set 3.2: A 61 HIS : no HE2:sc= -3.1! C(o=-3.3!,f=-5.6!) USER MOD Set 4.1: A 22 THR OG1 : rot -170:sc= 0.0501 USER MOD Set 4.2: A 69 ASN :FLIP amide:sc= -0.49 F(o=-1.3,f=-0.44) USER MOD Set 5.1: A 5 ASN :FLIP amide:sc= -0.34 F(o=-1.8,f=-0.67) USER MOD Set 5.2: A 10 HIS :FLIP no HD1:sc= -0.0388 F(o=-3,f=-0.67) USER MOD Set 5.3: A 96 SER OG : rot -1:sc= -0.288 USER MOD Set 6.1: A 3 MET CE :methyl 144:sc= -0.916 (180deg=-2.48) USER MOD Set 6.2: A 11 MET CE :methyl -170:sc= -1.71! (180deg=-1.78!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= -0.374 USER MOD Single : A 15 CYS SG : rot 45:sc= 0.626 USER MOD Single : A 23 ASN :FLIP amide:sc= -1.91! C(o=-2.6!,f=-1.9!) USER MOD Single : A 27 ASN : amide:sc= 0.12 K(o=0.12,f=-1.3) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 33 MET CE :methyl -109:sc= -4.96! (180deg=-6.4!) USER MOD Single : A 34 THR OG1 : rot -150:sc= -2.07! USER MOD Single : A 35 GLN :FLIP amide:sc= -3.52! C(o=-5.2!,f=-3.5!) USER MOD Single : A 40 SER OG : rot -87:sc= 0.26 USER MOD Single : A 43 SER OG : rot -170:sc= 0 USER MOD Single : A 44 SER OG : rot -110:sc= 1.23 USER MOD Single : A 50 SER OG : rot 26:sc= 0.0617 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -145:sc= 1.28 (180deg=-0.197) USER MOD Single : A 62 SER OG : rot -149:sc= 0.361 USER MOD Single : A 65 TYR OH : rot 180:sc= -0.074 USER MOD Single : A 70 TYR OH : rot -153:sc= -1.94 USER MOD Single : A 72 THR OG1 : rot -177:sc= 0.0995 USER MOD Single : A 74 LYS NZ :NH3+ -149:sc= 0.997 (180deg=-0.172) USER MOD Single : A 84 ASN : amide:sc= -5.26! C(o=-5.3!,f=-11!) USER MOD Single : A 89 GLN :FLIP amide:sc= 0 F(o=-0.99,f=0) USER MOD Single : A 90 SER OG : rot -38:sc= 0.0352 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.521 13.540 -15.858 1.00 0.00 N ATOM 2 CA GLY A 1 7.001 12.160 -15.600 1.00 0.00 C ATOM 3 C GLY A 1 5.860 11.196 -15.366 1.00 0.00 C ATOM 4 O GLY A 1 4.952 11.477 -14.584 1.00 0.00 O ATOM 0 H1 GLY A 1 7.336 14.168 -16.013 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.915 13.544 -16.703 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.976 13.877 -15.039 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.595 11.819 -16.448 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.658 12.162 -14.730 1.00 0.00 H new ATOM 10 N HIS A 2 5.911 10.049 -16.031 1.00 0.00 N ATOM 11 CA HIS A 2 4.863 9.037 -15.915 1.00 0.00 C ATOM 12 C HIS A 2 5.199 8.048 -14.805 1.00 0.00 C ATOM 13 O HIS A 2 4.951 6.848 -14.927 1.00 0.00 O ATOM 14 CB HIS A 2 4.688 8.279 -17.237 1.00 0.00 C ATOM 15 CG HIS A 2 4.298 9.147 -18.393 1.00 0.00 C ATOM 16 ND1 HIS A 2 2.990 9.385 -18.751 1.00 0.00 N ATOM 17 CD2 HIS A 2 5.058 9.820 -19.288 1.00 0.00 C ATOM 18 CE1 HIS A 2 2.963 10.164 -19.816 1.00 0.00 C ATOM 19 NE2 HIS A 2 4.204 10.444 -20.159 1.00 0.00 N ATOM 0 H HIS A 2 6.671 9.793 -16.661 1.00 0.00 H new ATOM 0 HA HIS A 2 3.930 9.547 -15.674 1.00 0.00 H new ATOM 0 HB2 HIS A 2 5.621 7.770 -17.478 1.00 0.00 H new ATOM 0 HB3 HIS A 2 3.929 7.508 -17.103 1.00 0.00 H new ATOM 0 HD2 HIS A 2 6.137 9.858 -19.311 1.00 0.00 H new ATOM 0 HE1 HIS A 2 2.074 10.513 -20.321 1.00 0.00 H new ATOM 0 HE2 HIS A 2 4.484 11.030 -20.945 1.00 0.00 H new ATOM 28 N MET A 3 5.759 8.564 -13.721 1.00 0.00 N ATOM 29 CA MET A 3 6.185 7.733 -12.607 1.00 0.00 C ATOM 30 C MET A 3 4.975 7.265 -11.809 1.00 0.00 C ATOM 31 O MET A 3 4.172 8.078 -11.341 1.00 0.00 O ATOM 32 CB MET A 3 7.140 8.521 -11.707 1.00 0.00 C ATOM 33 CG MET A 3 7.837 7.674 -10.656 1.00 0.00 C ATOM 34 SD MET A 3 8.932 8.647 -9.602 1.00 0.00 S ATOM 35 CE MET A 3 9.767 7.348 -8.696 1.00 0.00 C ATOM 0 H MET A 3 5.929 9.561 -13.590 1.00 0.00 H new ATOM 0 HA MET A 3 6.706 6.858 -12.995 1.00 0.00 H new ATOM 0 HB2 MET A 3 7.894 9.004 -12.329 1.00 0.00 H new ATOM 0 HB3 MET A 3 6.582 9.314 -11.209 1.00 0.00 H new ATOM 0 HG2 MET A 3 7.088 7.178 -10.038 1.00 0.00 H new ATOM 0 HG3 MET A 3 8.413 6.891 -11.148 1.00 0.00 H new ATOM 0 HE1 MET A 3 10.805 7.634 -8.523 1.00 0.00 H new ATOM 0 HE2 MET A 3 9.269 7.194 -7.739 1.00 0.00 H new ATOM 0 HE3 MET A 3 9.737 6.424 -9.274 1.00 0.00 H new ATOM 45 N SER A 4 4.848 5.953 -11.657 1.00 0.00 N ATOM 46 CA SER A 4 3.708 5.365 -10.966 1.00 0.00 C ATOM 47 C SER A 4 3.761 5.690 -9.476 1.00 0.00 C ATOM 48 O SER A 4 2.732 5.809 -8.815 1.00 0.00 O ATOM 49 CB SER A 4 3.690 3.851 -11.177 1.00 0.00 C ATOM 50 OG SER A 4 3.824 3.525 -12.552 1.00 0.00 O ATOM 0 H SER A 4 5.524 5.273 -12.005 1.00 0.00 H new ATOM 0 HA SER A 4 2.793 5.790 -11.380 1.00 0.00 H new ATOM 0 HB2 SER A 4 4.500 3.392 -10.611 1.00 0.00 H new ATOM 0 HB3 SER A 4 2.758 3.438 -10.791 1.00 0.00 H new ATOM 0 HG SER A 4 3.811 2.551 -12.660 1.00 0.00 H new ATOM 56 N ASN A 5 4.970 5.844 -8.953 1.00 0.00 N ATOM 57 CA ASN A 5 5.144 6.195 -7.555 1.00 0.00 C ATOM 58 C ASN A 5 5.086 7.708 -7.372 1.00 0.00 C ATOM 59 O ASN A 5 6.088 8.348 -7.053 1.00 0.00 O ATOM 60 CB ASN A 5 6.465 5.636 -7.010 1.00 0.00 C ATOM 61 CG ASN A 5 6.634 5.851 -5.510 1.00 0.00 C ATOM 62 OD1 ASN A 5 5.533 5.821 -4.767 1.00 0.00 O flip ATOM 63 ND2 ASN A 5 7.749 6.024 -5.019 1.00 0.00 N flip ATOM 0 H ASN A 5 5.839 5.732 -9.475 1.00 0.00 H new ATOM 0 HA ASN A 5 4.328 5.747 -6.989 1.00 0.00 H new ATOM 0 HB2 ASN A 5 6.517 4.569 -7.226 1.00 0.00 H new ATOM 0 HB3 ASN A 5 7.296 6.108 -7.534 1.00 0.00 H new ATOM 0 HD21 ASN A 5 8.573 6.041 -5.619 1.00 0.00 H new ATOM 0 HD22 ASN A 5 7.849 6.150 -4.012 1.00 0.00 H new ATOM 70 N GLY A 6 3.906 8.278 -7.595 1.00 0.00 N ATOM 71 CA GLY A 6 3.669 9.669 -7.242 1.00 0.00 C ATOM 72 C GLY A 6 3.477 9.806 -5.748 1.00 0.00 C ATOM 73 O GLY A 6 2.480 10.349 -5.274 1.00 0.00 O ATOM 0 H GLY A 6 3.107 7.802 -8.015 1.00 0.00 H new ATOM 0 HA2 GLY A 6 4.511 10.282 -7.565 1.00 0.00 H new ATOM 0 HA3 GLY A 6 2.787 10.039 -7.764 1.00 0.00 H new ATOM 77 N TYR A 7 4.437 9.269 -5.029 1.00 0.00 N ATOM 78 CA TYR A 7 4.409 9.162 -3.586 1.00 0.00 C ATOM 79 C TYR A 7 5.831 8.824 -3.169 1.00 0.00 C ATOM 80 O TYR A 7 6.081 7.917 -2.376 1.00 0.00 O ATOM 81 CB TYR A 7 3.429 8.055 -3.163 1.00 0.00 C ATOM 82 CG TYR A 7 2.688 8.326 -1.871 1.00 0.00 C ATOM 83 CD1 TYR A 7 3.350 8.291 -0.650 1.00 0.00 C ATOM 84 CD2 TYR A 7 1.323 8.608 -1.874 1.00 0.00 C ATOM 85 CE1 TYR A 7 2.676 8.534 0.531 1.00 0.00 C ATOM 86 CE2 TYR A 7 0.645 8.851 -0.695 1.00 0.00 C ATOM 87 CZ TYR A 7 1.326 8.814 0.502 1.00 0.00 C ATOM 88 OH TYR A 7 0.657 9.061 1.679 1.00 0.00 O ATOM 0 H TYR A 7 5.285 8.883 -5.444 1.00 0.00 H new ATOM 0 HA TYR A 7 4.072 10.083 -3.111 1.00 0.00 H new ATOM 0 HB2 TYR A 7 2.700 7.910 -3.960 1.00 0.00 H new ATOM 0 HB3 TYR A 7 3.980 7.120 -3.061 1.00 0.00 H new ATOM 0 HD1 TYR A 7 4.407 8.071 -0.624 1.00 0.00 H new ATOM 0 HD2 TYR A 7 0.788 8.637 -2.812 1.00 0.00 H new ATOM 0 HE1 TYR A 7 3.204 8.505 1.473 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -0.413 9.069 -0.712 1.00 0.00 H new ATOM 0 HH TYR A 7 -0.287 9.242 1.487 1.00 0.00 H new ATOM 98 N GLU A 8 6.759 9.562 -3.765 1.00 0.00 N ATOM 99 CA GLU A 8 8.178 9.240 -3.731 1.00 0.00 C ATOM 100 C GLU A 8 8.829 9.633 -2.412 1.00 0.00 C ATOM 101 O GLU A 8 8.155 9.768 -1.391 1.00 0.00 O ATOM 102 CB GLU A 8 8.895 9.901 -4.920 1.00 0.00 C ATOM 103 CG GLU A 8 8.803 11.420 -4.970 1.00 0.00 C ATOM 104 CD GLU A 8 7.470 11.916 -5.494 1.00 0.00 C ATOM 105 OE1 GLU A 8 7.313 12.024 -6.729 1.00 0.00 O ATOM 106 OE2 GLU A 8 6.573 12.199 -4.674 1.00 0.00 O1- ATOM 0 H GLU A 8 6.544 10.409 -4.291 1.00 0.00 H new ATOM 0 HA GLU A 8 8.275 8.157 -3.814 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.947 9.618 -4.892 1.00 0.00 H new ATOM 0 HB3 GLU A 8 8.480 9.497 -5.844 1.00 0.00 H new ATOM 0 HG2 GLU A 8 8.966 11.821 -3.970 1.00 0.00 H new ATOM 0 HG3 GLU A 8 9.602 11.806 -5.603 1.00 0.00 H new ATOM 113 N ASP A 9 10.151 9.770 -2.457 1.00 0.00 N ATOM 114 CA ASP A 9 10.982 10.053 -1.283 1.00 0.00 C ATOM 115 C ASP A 9 11.172 8.786 -0.464 1.00 0.00 C ATOM 116 O ASP A 9 10.916 8.763 0.735 1.00 0.00 O ATOM 117 CB ASP A 9 10.412 11.178 -0.404 1.00 0.00 C ATOM 118 CG ASP A 9 10.448 12.539 -1.072 1.00 0.00 C ATOM 119 OD1 ASP A 9 11.539 13.151 -1.135 1.00 0.00 O ATOM 120 OD2 ASP A 9 9.383 13.016 -1.518 1.00 0.00 O1- ATOM 0 H ASP A 9 10.686 9.687 -3.321 1.00 0.00 H new ATOM 0 HA ASP A 9 11.947 10.403 -1.650 1.00 0.00 H new ATOM 0 HB2 ASP A 9 9.382 10.937 -0.141 1.00 0.00 H new ATOM 0 HB3 ASP A 9 10.977 11.223 0.527 1.00 0.00 H new ATOM 125 N HIS A 10 11.601 7.726 -1.144 1.00 0.00 N ATOM 126 CA HIS A 10 11.915 6.447 -0.494 1.00 0.00 C ATOM 127 C HIS A 10 12.405 5.442 -1.527 1.00 0.00 C ATOM 128 O HIS A 10 13.114 4.493 -1.210 1.00 0.00 O ATOM 129 CB HIS A 10 10.695 5.873 0.256 1.00 0.00 C ATOM 130 CG HIS A 10 9.596 5.376 -0.643 1.00 0.00 C ATOM 131 ND1 HIS A 10 9.441 4.190 -1.276 1.00 0.00 N flip ATOM 132 CD2 HIS A 10 8.501 6.135 -0.992 1.00 0.00 C flip ATOM 133 CE1 HIS A 10 8.275 4.253 -1.997 1.00 0.00 C flip ATOM 134 NE2 HIS A 10 7.727 5.440 -1.805 1.00 0.00 N flip ATOM 0 H HIS A 10 11.742 7.724 -2.154 1.00 0.00 H new ATOM 0 HA HIS A 10 12.701 6.633 0.238 1.00 0.00 H new ATOM 0 HB2 HIS A 10 11.027 5.053 0.893 1.00 0.00 H new ATOM 0 HB3 HIS A 10 10.291 6.643 0.913 1.00 0.00 H new ATOM 0 HD2 HIS A 10 8.306 7.142 -0.653 1.00 0.00 H new ATOM 0 HE1 HIS A 10 7.873 3.465 -2.617 1.00 0.00 H new ATOM 0 HE2 HIS A 10 6.852 5.765 -2.216 1.00 0.00 H new ATOM 143 N MET A 11 12.022 5.680 -2.765 1.00 0.00 N ATOM 144 CA MET A 11 12.266 4.743 -3.857 1.00 0.00 C ATOM 145 C MET A 11 13.724 4.756 -4.307 1.00 0.00 C ATOM 146 O MET A 11 14.255 3.735 -4.739 1.00 0.00 O ATOM 147 CB MET A 11 11.342 5.046 -5.041 1.00 0.00 C ATOM 148 CG MET A 11 11.631 6.368 -5.725 1.00 0.00 C ATOM 149 SD MET A 11 11.512 7.774 -4.605 1.00 0.00 S ATOM 150 CE MET A 11 12.101 9.068 -5.678 1.00 0.00 C ATOM 0 H MET A 11 11.532 6.528 -3.049 1.00 0.00 H new ATOM 0 HA MET A 11 12.048 3.744 -3.481 1.00 0.00 H new ATOM 0 HB2 MET A 11 11.430 4.243 -5.773 1.00 0.00 H new ATOM 0 HB3 MET A 11 10.309 5.047 -4.692 1.00 0.00 H new ATOM 0 HG2 MET A 11 12.631 6.337 -6.157 1.00 0.00 H new ATOM 0 HG3 MET A 11 10.932 6.506 -6.550 1.00 0.00 H new ATOM 0 HE1 MET A 11 12.263 9.976 -5.098 1.00 0.00 H new ATOM 0 HE2 MET A 11 13.040 8.760 -6.138 1.00 0.00 H new ATOM 0 HE3 MET A 11 11.362 9.261 -6.455 1.00 0.00 H new ATOM 160 N ALA A 12 14.363 5.911 -4.213 1.00 0.00 N ATOM 161 CA ALA A 12 15.764 6.036 -4.591 1.00 0.00 C ATOM 162 C ALA A 12 16.601 6.486 -3.405 1.00 0.00 C ATOM 163 O ALA A 12 17.782 6.159 -3.302 1.00 0.00 O ATOM 164 CB ALA A 12 15.915 7.016 -5.745 1.00 0.00 C ATOM 0 H ALA A 12 13.936 6.775 -3.879 1.00 0.00 H new ATOM 0 HA ALA A 12 16.121 5.058 -4.913 1.00 0.00 H new ATOM 0 HB1 ALA A 12 16.967 7.099 -6.016 1.00 0.00 H new ATOM 0 HB2 ALA A 12 15.346 6.658 -6.603 1.00 0.00 H new ATOM 0 HB3 ALA A 12 15.540 7.994 -5.443 1.00 0.00 H new ATOM 170 N GLU A 13 15.968 7.234 -2.511 1.00 0.00 N ATOM 171 CA GLU A 13 16.628 7.766 -1.330 1.00 0.00 C ATOM 172 C GLU A 13 15.598 8.450 -0.446 1.00 0.00 C ATOM 173 O GLU A 13 14.416 8.484 -0.801 1.00 0.00 O ATOM 174 CB GLU A 13 17.731 8.753 -1.731 1.00 0.00 C ATOM 175 CG GLU A 13 17.245 9.894 -2.614 1.00 0.00 C ATOM 176 CD GLU A 13 18.384 10.713 -3.178 1.00 0.00 C ATOM 177 OE1 GLU A 13 18.800 10.451 -4.327 1.00 0.00 O ATOM 178 OE2 GLU A 13 18.871 11.627 -2.482 1.00 0.00 O1- ATOM 0 H GLU A 13 14.983 7.488 -2.586 1.00 0.00 H new ATOM 0 HA GLU A 13 17.091 6.949 -0.777 1.00 0.00 H new ATOM 0 HB2 GLU A 13 18.178 9.170 -0.828 1.00 0.00 H new ATOM 0 HB3 GLU A 13 18.518 8.210 -2.255 1.00 0.00 H new ATOM 0 HG2 GLU A 13 16.652 9.488 -3.434 1.00 0.00 H new ATOM 0 HG3 GLU A 13 16.587 10.542 -2.036 1.00 0.00 H new ATOM 185 N ASP A 14 16.057 8.972 0.691 1.00 0.00 N ATOM 186 CA ASP A 14 15.220 9.727 1.632 1.00 0.00 C ATOM 187 C ASP A 14 14.336 8.797 2.465 1.00 0.00 C ATOM 188 O ASP A 14 14.025 7.674 2.055 1.00 0.00 O ATOM 189 CB ASP A 14 14.357 10.769 0.902 1.00 0.00 C ATOM 190 CG ASP A 14 13.806 11.838 1.828 1.00 0.00 C ATOM 191 OD1 ASP A 14 14.468 12.885 1.992 1.00 0.00 O ATOM 192 OD2 ASP A 14 12.701 11.655 2.379 1.00 0.00 O1- ATOM 0 H ASP A 14 17.028 8.884 0.990 1.00 0.00 H new ATOM 0 HA ASP A 14 15.894 10.253 2.308 1.00 0.00 H new ATOM 0 HB2 ASP A 14 14.953 11.244 0.122 1.00 0.00 H new ATOM 0 HB3 ASP A 14 13.528 10.263 0.407 1.00 0.00 H new ATOM 197 N CYS A 15 13.972 9.282 3.649 1.00 0.00 N ATOM 198 CA CYS A 15 13.069 8.598 4.567 1.00 0.00 C ATOM 199 C CYS A 15 13.637 7.301 5.130 1.00 0.00 C ATOM 200 O CYS A 15 14.697 6.824 4.726 1.00 0.00 O ATOM 201 CB CYS A 15 11.730 8.318 3.903 1.00 0.00 C ATOM 202 SG CYS A 15 10.779 9.808 3.519 1.00 0.00 S ATOM 0 H CYS A 15 14.304 10.179 4.003 1.00 0.00 H new ATOM 0 HA CYS A 15 12.935 9.280 5.406 1.00 0.00 H new ATOM 0 HB2 CYS A 15 11.901 7.760 2.982 1.00 0.00 H new ATOM 0 HB3 CYS A 15 11.137 7.679 4.557 1.00 0.00 H new ATOM 0 HG CYS A 15 11.562 10.695 2.980 1.00 0.00 H new ATOM 208 N ARG A 16 12.921 6.770 6.116 1.00 0.00 N ATOM 209 CA ARG A 16 13.237 5.494 6.727 1.00 0.00 C ATOM 210 C ARG A 16 12.216 4.471 6.280 1.00 0.00 C ATOM 211 O ARG A 16 11.848 3.550 7.014 1.00 0.00 O ATOM 212 CB ARG A 16 13.235 5.614 8.250 1.00 0.00 C ATOM 213 CG ARG A 16 14.245 6.614 8.773 1.00 0.00 C ATOM 214 CD ARG A 16 13.822 8.047 8.490 1.00 0.00 C ATOM 215 NE ARG A 16 14.922 8.990 8.650 1.00 0.00 N ATOM 216 CZ ARG A 16 14.966 10.182 8.059 1.00 0.00 C ATOM 217 NH1 ARG A 16 13.951 10.591 7.306 1.00 0.00 N1+ ATOM 218 NH2 ARG A 16 16.015 10.970 8.227 1.00 0.00 N ATOM 0 H ARG A 16 12.098 7.222 6.514 1.00 0.00 H new ATOM 0 HA ARG A 16 14.233 5.179 6.415 1.00 0.00 H new ATOM 0 HB2 ARG A 16 12.239 5.906 8.583 1.00 0.00 H new ATOM 0 HB3 ARG A 16 13.443 4.636 8.685 1.00 0.00 H new ATOM 0 HG2 ARG A 16 14.369 6.477 9.847 1.00 0.00 H new ATOM 0 HG3 ARG A 16 15.215 6.424 8.314 1.00 0.00 H new ATOM 0 HD2 ARG A 16 13.433 8.115 7.474 1.00 0.00 H new ATOM 0 HD3 ARG A 16 13.009 8.323 9.162 1.00 0.00 H new ATOM 0 HE ARG A 16 15.703 8.721 9.249 1.00 0.00 H new ATOM 0 HH11 ARG A 16 13.136 9.991 7.180 1.00 0.00 H new ATOM 0 HH12 ARG A 16 13.987 11.505 6.854 1.00 0.00 H new ATOM 0 HH21 ARG A 16 16.794 10.665 8.811 1.00 0.00 H new ATOM 0 HH22 ARG A 16 16.045 11.883 7.773 1.00 0.00 H new ATOM 232 N GLY A 17 11.750 4.668 5.067 1.00 0.00 N ATOM 233 CA GLY A 17 10.785 3.785 4.477 1.00 0.00 C ATOM 234 C GLY A 17 11.365 3.108 3.254 1.00 0.00 C ATOM 235 O GLY A 17 11.008 3.454 2.134 1.00 0.00 O ATOM 0 H GLY A 17 12.032 5.444 4.468 1.00 0.00 H new ATOM 0 HA2 GLY A 17 10.478 3.034 5.205 1.00 0.00 H new ATOM 0 HA3 GLY A 17 9.892 4.345 4.201 1.00 0.00 H new ATOM 239 N ASP A 18 12.289 2.181 3.482 1.00 0.00 N ATOM 240 CA ASP A 18 12.957 1.441 2.402 1.00 0.00 C ATOM 241 C ASP A 18 14.038 0.536 2.981 1.00 0.00 C ATOM 242 O ASP A 18 14.421 -0.463 2.372 1.00 0.00 O ATOM 243 CB ASP A 18 13.576 2.393 1.371 1.00 0.00 C ATOM 244 CG ASP A 18 14.284 1.662 0.247 1.00 0.00 C ATOM 245 OD1 ASP A 18 15.527 1.767 0.159 1.00 0.00 O ATOM 246 OD2 ASP A 18 13.603 0.989 -0.556 1.00 0.00 O1- ATOM 0 H ASP A 18 12.600 1.917 4.417 1.00 0.00 H new ATOM 0 HA ASP A 18 12.205 0.835 1.897 1.00 0.00 H new ATOM 0 HB2 ASP A 18 12.793 3.025 0.951 1.00 0.00 H new ATOM 0 HB3 ASP A 18 14.284 3.053 1.872 1.00 0.00 H new ATOM 251 N ILE A 19 14.531 0.913 4.160 1.00 0.00 N ATOM 252 CA ILE A 19 15.486 0.109 4.910 1.00 0.00 C ATOM 253 C ILE A 19 15.011 -1.334 5.020 1.00 0.00 C ATOM 254 O ILE A 19 15.535 -2.231 4.363 1.00 0.00 O ATOM 255 CB ILE A 19 15.687 0.668 6.334 1.00 0.00 C ATOM 256 CG1 ILE A 19 14.682 1.779 6.642 1.00 0.00 C ATOM 257 CG2 ILE A 19 17.093 1.189 6.499 1.00 0.00 C ATOM 258 CD1 ILE A 19 14.284 1.855 8.095 1.00 0.00 C ATOM 0 H ILE A 19 14.277 1.787 4.620 1.00 0.00 H new ATOM 0 HA ILE A 19 16.431 0.146 4.368 1.00 0.00 H new ATOM 0 HB ILE A 19 15.521 -0.148 7.038 1.00 0.00 H new ATOM 0 HG12 ILE A 19 15.109 2.736 6.341 1.00 0.00 H new ATOM 0 HG13 ILE A 19 13.788 1.625 6.038 1.00 0.00 H new ATOM 0 HG21 ILE A 19 17.220 1.580 7.508 1.00 0.00 H new ATOM 0 HG22 ILE A 19 17.803 0.379 6.332 1.00 0.00 H new ATOM 0 HG23 ILE A 19 17.273 1.985 5.776 1.00 0.00 H new ATOM 0 HD11 ILE A 19 13.570 2.666 8.235 1.00 0.00 H new ATOM 0 HD12 ILE A 19 13.826 0.913 8.397 1.00 0.00 H new ATOM 0 HD13 ILE A 19 15.168 2.041 8.705 1.00 0.00 H new ATOM 270 N GLY A 20 14.014 -1.543 5.859 1.00 0.00 N ATOM 271 CA GLY A 20 13.399 -2.845 5.966 1.00 0.00 C ATOM 272 C GLY A 20 11.950 -2.739 6.374 1.00 0.00 C ATOM 273 O GLY A 20 11.506 -3.417 7.297 1.00 0.00 O ATOM 0 H GLY A 20 13.617 -0.830 6.471 1.00 0.00 H new ATOM 0 HA2 GLY A 20 13.472 -3.363 5.010 1.00 0.00 H new ATOM 0 HA3 GLY A 20 13.941 -3.446 6.696 1.00 0.00 H new ATOM 277 N ARG A 21 11.206 -1.885 5.684 1.00 0.00 N ATOM 278 CA ARG A 21 9.824 -1.633 6.054 1.00 0.00 C ATOM 279 C ARG A 21 8.876 -2.580 5.362 1.00 0.00 C ATOM 280 O ARG A 21 8.978 -2.835 4.167 1.00 0.00 O ATOM 281 CB ARG A 21 9.428 -0.188 5.785 1.00 0.00 C ATOM 282 CG ARG A 21 10.242 0.815 6.556 1.00 0.00 C ATOM 283 CD ARG A 21 10.296 0.356 7.966 1.00 0.00 C ATOM 284 NE ARG A 21 11.016 1.266 8.850 1.00 0.00 N ATOM 285 CZ ARG A 21 11.238 1.015 10.143 1.00 0.00 C ATOM 286 NH1 ARG A 21 10.755 -0.090 10.698 1.00 0.00 N1+ ATOM 287 NH2 ARG A 21 11.929 1.874 10.881 1.00 0.00 N ATOM 0 H ARG A 21 11.534 -1.361 4.873 1.00 0.00 H new ATOM 0 HA ARG A 21 9.749 -1.811 7.127 1.00 0.00 H new ATOM 0 HB2 ARG A 21 9.531 0.016 4.719 1.00 0.00 H new ATOM 0 HB3 ARG A 21 8.375 -0.057 6.034 1.00 0.00 H new ATOM 0 HG2 ARG A 21 11.246 0.895 6.140 1.00 0.00 H new ATOM 0 HG3 ARG A 21 9.791 1.805 6.492 1.00 0.00 H new ATOM 0 HD2 ARG A 21 9.279 0.231 8.338 1.00 0.00 H new ATOM 0 HD3 ARG A 21 10.771 -0.624 8.002 1.00 0.00 H new ATOM 0 HE ARG A 21 11.369 2.140 8.460 1.00 0.00 H new ATOM 0 HH11 ARG A 21 10.214 -0.748 10.137 1.00 0.00 H new ATOM 0 HH12 ARG A 21 10.925 -0.281 11.685 1.00 0.00 H new ATOM 0 HH21 ARG A 21 12.293 2.730 10.461 1.00 0.00 H new ATOM 0 HH22 ARG A 21 12.096 1.679 11.868 1.00 0.00 H new ATOM 301 N THR A 22 7.970 -3.114 6.142 1.00 0.00 N ATOM 302 CA THR A 22 6.971 -4.020 5.641 1.00 0.00 C ATOM 303 C THR A 22 5.630 -3.306 5.548 1.00 0.00 C ATOM 304 O THR A 22 4.706 -3.764 4.881 1.00 0.00 O ATOM 305 CB THR A 22 6.863 -5.234 6.574 1.00 0.00 C ATOM 306 OG1 THR A 22 6.608 -4.792 7.916 1.00 0.00 O ATOM 307 CG2 THR A 22 8.154 -6.037 6.549 1.00 0.00 C ATOM 0 H THR A 22 7.905 -2.932 7.143 1.00 0.00 H new ATOM 0 HA THR A 22 7.257 -4.362 4.646 1.00 0.00 H new ATOM 0 HB THR A 22 6.043 -5.865 6.231 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.696 -5.549 8.532 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.062 -6.895 7.215 1.00 0.00 H new ATOM 0 HG22 THR A 22 8.346 -6.385 5.534 1.00 0.00 H new ATOM 0 HG23 THR A 22 8.980 -5.408 6.879 1.00 0.00 H new ATOM 315 N ASN A 23 5.542 -2.170 6.228 1.00 0.00 N ATOM 316 CA ASN A 23 4.316 -1.385 6.270 1.00 0.00 C ATOM 317 C ASN A 23 4.152 -0.596 4.984 1.00 0.00 C ATOM 318 O ASN A 23 4.941 0.305 4.693 1.00 0.00 O ATOM 319 CB ASN A 23 4.361 -0.404 7.437 1.00 0.00 C ATOM 320 CG ASN A 23 2.987 0.133 7.817 1.00 0.00 C ATOM 321 OD1 ASN A 23 1.951 -0.671 7.625 1.00 0.00 O flip ATOM 322 ND2 ASN A 23 2.857 1.258 8.301 1.00 0.00 N flip ATOM 0 H ASN A 23 6.313 -1.769 6.762 1.00 0.00 H new ATOM 0 HA ASN A 23 3.477 -2.071 6.392 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.804 -0.897 8.302 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.012 0.431 7.178 1.00 0.00 H new ATOM 0 HD21 ASN A 23 3.675 1.853 8.436 1.00 0.00 H new ATOM 0 HD22 ASN A 23 1.932 1.595 8.567 1.00 0.00 H new ATOM 329 N LEU A 24 3.136 -0.924 4.220 1.00 0.00 N ATOM 330 CA LEU A 24 2.888 -0.243 2.970 1.00 0.00 C ATOM 331 C LEU A 24 1.609 0.567 3.028 1.00 0.00 C ATOM 332 O LEU A 24 0.528 0.034 3.278 1.00 0.00 O ATOM 333 CB LEU A 24 2.813 -1.258 1.831 1.00 0.00 C ATOM 334 CG LEU A 24 3.950 -1.193 0.816 1.00 0.00 C ATOM 335 CD1 LEU A 24 5.300 -1.153 1.508 1.00 0.00 C ATOM 336 CD2 LEU A 24 3.871 -2.381 -0.115 1.00 0.00 C ATOM 0 H LEU A 24 2.466 -1.660 4.443 1.00 0.00 H new ATOM 0 HA LEU A 24 3.714 0.445 2.790 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.790 -2.259 2.261 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.870 -1.116 1.303 1.00 0.00 H new ATOM 0 HG LEU A 24 3.845 -0.275 0.238 1.00 0.00 H new ATOM 0 HD11 LEU A 24 6.091 -1.107 0.760 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.355 -0.273 2.148 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.425 -2.051 2.114 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.685 -2.331 -0.839 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.955 -3.302 0.462 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.916 -2.368 -0.641 1.00 0.00 H new ATOM 348 N ILE A 25 1.744 1.857 2.800 1.00 0.00 N ATOM 349 CA ILE A 25 0.596 2.722 2.680 1.00 0.00 C ATOM 350 C ILE A 25 0.088 2.654 1.250 1.00 0.00 C ATOM 351 O ILE A 25 0.851 2.809 0.298 1.00 0.00 O ATOM 352 CB ILE A 25 0.905 4.189 3.066 1.00 0.00 C ATOM 353 CG1 ILE A 25 -0.403 4.981 3.101 1.00 0.00 C ATOM 354 CG2 ILE A 25 1.917 4.815 2.116 1.00 0.00 C ATOM 355 CD1 ILE A 25 -0.238 6.454 3.394 1.00 0.00 C ATOM 0 H ILE A 25 2.642 2.328 2.694 1.00 0.00 H new ATOM 0 HA ILE A 25 -0.164 2.374 3.380 1.00 0.00 H new ATOM 0 HB ILE A 25 1.359 4.211 4.057 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -0.906 4.869 2.141 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -1.057 4.545 3.856 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.110 5.845 2.417 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.847 4.247 2.149 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.520 4.802 1.101 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.216 6.936 3.399 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.234 6.581 4.368 1.00 0.00 H new ATOM 0 HD13 ILE A 25 0.387 6.910 2.626 1.00 0.00 H new ATOM 367 N VAL A 26 -1.180 2.370 1.095 1.00 0.00 N ATOM 368 CA VAL A 26 -1.757 2.256 -0.221 1.00 0.00 C ATOM 369 C VAL A 26 -2.843 3.283 -0.390 1.00 0.00 C ATOM 370 O VAL A 26 -3.933 3.155 0.160 1.00 0.00 O ATOM 371 CB VAL A 26 -2.323 0.861 -0.471 1.00 0.00 C ATOM 372 CG1 VAL A 26 -2.666 0.684 -1.941 1.00 0.00 C ATOM 373 CG2 VAL A 26 -1.323 -0.175 -0.022 1.00 0.00 C ATOM 0 H VAL A 26 -1.833 2.213 1.863 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.965 2.430 -0.949 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.241 0.735 0.103 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.068 -0.316 -2.103 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.409 1.426 -2.233 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.767 0.815 -2.543 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.727 -1.172 -0.200 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.396 -0.053 -0.583 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.122 -0.050 1.042 1.00 0.00 H new ATOM 383 N ASN A 27 -2.529 4.310 -1.130 1.00 0.00 N ATOM 384 CA ASN A 27 -3.456 5.391 -1.345 1.00 0.00 C ATOM 385 C ASN A 27 -4.193 5.149 -2.643 1.00 0.00 C ATOM 386 O ASN A 27 -3.915 4.174 -3.347 1.00 0.00 O ATOM 387 CB ASN A 27 -2.717 6.727 -1.396 1.00 0.00 C ATOM 388 CG ASN A 27 -3.464 7.840 -0.692 1.00 0.00 C ATOM 389 OD1 ASN A 27 -4.337 8.482 -1.275 1.00 0.00 O ATOM 390 ND2 ASN A 27 -3.102 8.088 0.559 1.00 0.00 N ATOM 0 H ASN A 27 -1.630 4.423 -1.599 1.00 0.00 H new ATOM 0 HA ASN A 27 -4.167 5.431 -0.520 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -1.734 6.611 -0.940 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -2.554 7.007 -2.437 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -3.553 8.839 1.081 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -2.372 7.528 0.999 1.00 0.00 H new ATOM 397 N TYR A 28 -5.115 6.040 -2.955 1.00 0.00 N ATOM 398 CA TYR A 28 -5.900 5.961 -4.182 1.00 0.00 C ATOM 399 C TYR A 28 -6.665 4.637 -4.268 1.00 0.00 C ATOM 400 O TYR A 28 -6.835 4.077 -5.349 1.00 0.00 O ATOM 401 CB TYR A 28 -4.994 6.129 -5.407 1.00 0.00 C ATOM 402 CG TYR A 28 -4.122 7.365 -5.362 1.00 0.00 C ATOM 403 CD1 TYR A 28 -4.489 8.539 -6.001 1.00 0.00 C ATOM 404 CD2 TYR A 28 -2.918 7.345 -4.677 1.00 0.00 C ATOM 405 CE1 TYR A 28 -3.675 9.658 -5.957 1.00 0.00 C ATOM 406 CE2 TYR A 28 -2.101 8.454 -4.621 1.00 0.00 C ATOM 407 CZ TYR A 28 -2.482 9.608 -5.264 1.00 0.00 C ATOM 408 OH TYR A 28 -1.658 10.708 -5.226 1.00 0.00 O ATOM 0 H TYR A 28 -5.344 6.841 -2.367 1.00 0.00 H new ATOM 0 HA TYR A 28 -6.628 6.772 -4.166 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -4.356 5.250 -5.498 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -5.614 6.167 -6.303 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -5.423 8.581 -6.541 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -2.612 6.439 -4.175 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -3.972 10.565 -6.462 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -1.169 8.417 -4.076 1.00 0.00 H new ATOM 0 HH TYR A 28 -0.861 10.501 -4.695 1.00 0.00 H new ATOM 418 N LEU A 29 -7.113 4.136 -3.122 1.00 0.00 N ATOM 419 CA LEU A 29 -7.923 2.920 -3.079 1.00 0.00 C ATOM 420 C LEU A 29 -9.322 3.211 -3.595 1.00 0.00 C ATOM 421 O LEU A 29 -9.813 4.338 -3.467 1.00 0.00 O ATOM 422 CB LEU A 29 -8.017 2.373 -1.652 1.00 0.00 C ATOM 423 CG LEU A 29 -6.708 1.864 -1.051 1.00 0.00 C ATOM 424 CD1 LEU A 29 -6.976 1.102 0.237 1.00 0.00 C ATOM 425 CD2 LEU A 29 -5.970 0.988 -2.044 1.00 0.00 C ATOM 0 H LEU A 29 -6.930 4.552 -2.209 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.443 2.173 -3.711 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.411 3.158 -1.007 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.741 1.559 -1.642 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.079 2.723 -0.819 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -6.033 0.746 0.652 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.463 1.762 0.955 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -7.624 0.251 0.028 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.040 0.635 -1.597 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.593 0.133 -2.308 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.746 1.565 -2.941 1.00 0.00 H new ATOM 437 N PRO A 30 -9.984 2.209 -4.199 1.00 0.00 N ATOM 438 CA PRO A 30 -11.360 2.357 -4.650 1.00 0.00 C ATOM 439 C PRO A 30 -12.258 2.825 -3.509 1.00 0.00 C ATOM 440 O PRO A 30 -12.089 2.405 -2.360 1.00 0.00 O ATOM 441 CB PRO A 30 -11.774 0.958 -5.095 1.00 0.00 C ATOM 442 CG PRO A 30 -10.506 0.206 -5.319 1.00 0.00 C ATOM 443 CD PRO A 30 -9.434 0.877 -4.501 1.00 0.00 C ATOM 0 HA PRO A 30 -11.449 3.097 -5.446 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -12.387 0.472 -4.336 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -12.370 0.999 -6.007 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -10.620 -0.836 -5.021 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -10.240 0.208 -6.376 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -9.222 0.319 -3.589 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -8.498 0.950 -5.055 1.00 0.00 H new ATOM 451 N GLN A 31 -13.228 3.664 -3.827 1.00 0.00 N ATOM 452 CA GLN A 31 -14.028 4.332 -2.812 1.00 0.00 C ATOM 453 C GLN A 31 -15.056 3.405 -2.162 1.00 0.00 C ATOM 454 O GLN A 31 -15.705 3.785 -1.186 1.00 0.00 O ATOM 455 CB GLN A 31 -14.719 5.549 -3.420 1.00 0.00 C ATOM 456 CG GLN A 31 -13.754 6.658 -3.804 1.00 0.00 C ATOM 457 CD GLN A 31 -12.988 7.198 -2.614 1.00 0.00 C ATOM 458 OE1 GLN A 31 -11.818 6.632 -2.356 1.00 0.00 O flip ATOM 459 NE2 GLN A 31 -13.439 8.123 -1.937 1.00 0.00 N flip ATOM 0 H GLN A 31 -13.483 3.901 -4.786 1.00 0.00 H new ATOM 0 HA GLN A 31 -13.349 4.648 -2.020 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -15.275 5.238 -4.304 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -15.446 5.939 -2.707 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -13.049 6.281 -4.545 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -14.308 7.470 -4.275 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -14.344 8.531 -2.170 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -12.907 8.481 -1.144 1.00 0.00 H new ATOM 468 N ASN A 32 -15.210 2.200 -2.692 1.00 0.00 N ATOM 469 CA ASN A 32 -16.149 1.241 -2.120 1.00 0.00 C ATOM 470 C ASN A 32 -15.459 -0.055 -1.693 1.00 0.00 C ATOM 471 O ASN A 32 -16.126 -1.010 -1.296 1.00 0.00 O ATOM 472 CB ASN A 32 -17.257 0.913 -3.122 1.00 0.00 C ATOM 473 CG ASN A 32 -16.729 0.279 -4.393 1.00 0.00 C ATOM 474 OD1 ASN A 32 -16.525 -0.932 -4.464 1.00 0.00 O ATOM 475 ND2 ASN A 32 -16.518 1.091 -5.415 1.00 0.00 N ATOM 0 H ASN A 32 -14.702 1.863 -3.510 1.00 0.00 H new ATOM 0 HA ASN A 32 -16.577 1.708 -1.233 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -17.975 0.238 -2.655 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -17.796 1.827 -3.373 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -16.175 0.718 -6.300 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -16.699 2.090 -5.318 1.00 0.00 H new ATOM 482 N MET A 33 -14.133 -0.092 -1.766 1.00 0.00 N ATOM 483 CA MET A 33 -13.402 -1.337 -1.553 1.00 0.00 C ATOM 484 C MET A 33 -13.325 -1.728 -0.071 1.00 0.00 C ATOM 485 O MET A 33 -13.643 -0.934 0.814 1.00 0.00 O ATOM 486 CB MET A 33 -12.008 -1.214 -2.145 1.00 0.00 C ATOM 487 CG MET A 33 -11.329 -2.547 -2.314 1.00 0.00 C ATOM 488 SD MET A 33 -9.835 -2.450 -3.297 1.00 0.00 S ATOM 489 CE MET A 33 -8.795 -1.646 -2.105 1.00 0.00 C ATOM 0 H MET A 33 -13.546 0.717 -1.969 1.00 0.00 H new ATOM 0 HA MET A 33 -13.949 -2.133 -2.057 1.00 0.00 H new ATOM 0 HB2 MET A 33 -12.071 -0.718 -3.113 1.00 0.00 H new ATOM 0 HB3 MET A 33 -11.399 -0.580 -1.501 1.00 0.00 H new ATOM 0 HG2 MET A 33 -11.086 -2.952 -1.332 1.00 0.00 H new ATOM 0 HG3 MET A 33 -12.022 -3.245 -2.784 1.00 0.00 H new ATOM 0 HE1 MET A 33 -8.608 -0.619 -2.419 1.00 0.00 H new ATOM 0 HE2 MET A 33 -9.289 -1.644 -1.133 1.00 0.00 H new ATOM 0 HE3 MET A 33 -7.848 -2.180 -2.030 1.00 0.00 H new ATOM 499 N THR A 34 -12.904 -2.969 0.177 1.00 0.00 N ATOM 500 CA THR A 34 -12.846 -3.528 1.521 1.00 0.00 C ATOM 501 C THR A 34 -11.401 -3.825 1.922 1.00 0.00 C ATOM 502 O THR A 34 -10.510 -3.797 1.066 1.00 0.00 O ATOM 503 CB THR A 34 -13.649 -4.841 1.591 1.00 0.00 C ATOM 504 OG1 THR A 34 -12.933 -5.884 0.920 1.00 0.00 O ATOM 505 CG2 THR A 34 -15.007 -4.672 0.929 1.00 0.00 C ATOM 0 H THR A 34 -12.594 -3.612 -0.551 1.00 0.00 H new ATOM 0 HA THR A 34 -13.272 -2.793 2.203 1.00 0.00 H new ATOM 0 HB THR A 34 -13.790 -5.101 2.640 1.00 0.00 H new ATOM 0 HG1 THR A 34 -13.569 -6.529 0.546 1.00 0.00 H new ATOM 0 HG21 THR A 34 -15.560 -5.610 0.988 1.00 0.00 H new ATOM 0 HG22 THR A 34 -15.566 -3.888 1.440 1.00 0.00 H new ATOM 0 HG23 THR A 34 -14.870 -4.397 -0.117 1.00 0.00 H new ATOM 513 N GLN A 35 -11.164 -4.099 3.209 1.00 0.00 N ATOM 514 CA GLN A 35 -9.849 -4.567 3.648 1.00 0.00 C ATOM 515 C GLN A 35 -9.457 -5.784 2.856 1.00 0.00 C ATOM 516 O GLN A 35 -8.365 -5.864 2.335 1.00 0.00 O ATOM 517 CB GLN A 35 -9.811 -4.969 5.127 1.00 0.00 C ATOM 518 CG GLN A 35 -10.039 -3.839 6.108 1.00 0.00 C ATOM 519 CD GLN A 35 -11.486 -3.391 6.193 1.00 0.00 C ATOM 520 OE1 GLN A 35 -12.414 -4.308 5.953 1.00 0.00 O flip ATOM 521 NE2 GLN A 35 -11.770 -2.229 6.468 1.00 0.00 N flip ATOM 0 H GLN A 35 -11.855 -4.006 3.954 1.00 0.00 H new ATOM 0 HA GLN A 35 -9.167 -3.731 3.494 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -10.567 -5.735 5.298 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -8.843 -5.423 5.339 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -9.707 -4.155 7.097 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -9.420 -2.989 5.820 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -11.029 -1.551 6.646 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -12.747 -1.941 6.518 1.00 0.00 H new ATOM 530 N ASP A 36 -10.389 -6.714 2.755 1.00 0.00 N ATOM 531 CA ASP A 36 -10.134 -8.016 2.158 1.00 0.00 C ATOM 532 C ASP A 36 -9.671 -7.887 0.708 1.00 0.00 C ATOM 533 O ASP A 36 -8.901 -8.712 0.229 1.00 0.00 O ATOM 534 CB ASP A 36 -11.403 -8.861 2.244 1.00 0.00 C ATOM 535 CG ASP A 36 -11.166 -10.311 1.886 1.00 0.00 C ATOM 536 OD1 ASP A 36 -11.426 -10.699 0.727 1.00 0.00 O ATOM 537 OD2 ASP A 36 -10.723 -11.075 2.768 1.00 0.00 O1- ATOM 0 H ASP A 36 -11.346 -6.589 3.085 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.330 -8.503 2.710 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -11.806 -8.802 3.255 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -12.157 -8.445 1.576 1.00 0.00 H new ATOM 542 N GLU A 37 -10.116 -6.845 0.017 1.00 0.00 N ATOM 543 CA GLU A 37 -9.695 -6.607 -1.357 1.00 0.00 C ATOM 544 C GLU A 37 -8.313 -5.963 -1.376 1.00 0.00 C ATOM 545 O GLU A 37 -7.435 -6.367 -2.141 1.00 0.00 O ATOM 546 CB GLU A 37 -10.698 -5.706 -2.068 1.00 0.00 C ATOM 547 CG GLU A 37 -12.130 -6.221 -2.012 1.00 0.00 C ATOM 548 CD GLU A 37 -12.339 -7.450 -2.871 1.00 0.00 C ATOM 549 OE1 GLU A 37 -12.400 -7.311 -4.110 1.00 0.00 O ATOM 550 OE2 GLU A 37 -12.443 -8.563 -2.313 1.00 0.00 O1- ATOM 0 H GLU A 37 -10.768 -6.152 0.385 1.00 0.00 H new ATOM 0 HA GLU A 37 -9.649 -7.563 -1.879 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.661 -4.712 -1.621 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.401 -5.598 -3.111 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.388 -6.456 -0.979 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.809 -5.433 -2.339 1.00 0.00 H new ATOM 557 N LEU A 38 -8.134 -4.962 -0.516 1.00 0.00 N ATOM 558 CA LEU A 38 -6.846 -4.303 -0.335 1.00 0.00 C ATOM 559 C LEU A 38 -5.816 -5.329 0.155 1.00 0.00 C ATOM 560 O LEU A 38 -4.646 -5.298 -0.215 1.00 0.00 O ATOM 561 CB LEU A 38 -7.029 -3.125 0.665 1.00 0.00 C ATOM 562 CG LEU A 38 -5.788 -2.295 1.010 1.00 0.00 C ATOM 563 CD1 LEU A 38 -5.037 -2.904 2.176 1.00 0.00 C ATOM 564 CD2 LEU A 38 -4.887 -2.166 -0.205 1.00 0.00 C ATOM 0 H LEU A 38 -8.878 -4.587 0.073 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.476 -3.895 -1.276 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.783 -2.451 0.258 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.432 -3.530 1.593 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.112 -1.298 1.307 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.160 -2.297 2.401 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.688 -2.940 3.049 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.721 -3.915 1.917 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.009 -1.574 0.054 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.573 -3.157 -0.532 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.431 -1.674 -1.011 1.00 0.00 H new ATOM 576 N ARG A 39 -6.293 -6.261 0.951 1.00 0.00 N ATOM 577 CA ARG A 39 -5.468 -7.291 1.547 1.00 0.00 C ATOM 578 C ARG A 39 -5.135 -8.382 0.519 1.00 0.00 C ATOM 579 O ARG A 39 -3.985 -8.797 0.412 1.00 0.00 O ATOM 580 CB ARG A 39 -6.211 -7.868 2.768 1.00 0.00 C ATOM 581 CG ARG A 39 -5.349 -8.622 3.770 1.00 0.00 C ATOM 582 CD ARG A 39 -4.933 -9.976 3.243 1.00 0.00 C ATOM 583 NE ARG A 39 -4.061 -10.698 4.171 1.00 0.00 N ATOM 584 CZ ARG A 39 -3.491 -11.869 3.887 1.00 0.00 C ATOM 585 NH1 ARG A 39 -3.794 -12.499 2.761 1.00 0.00 N1+ ATOM 586 NH2 ARG A 39 -2.638 -12.420 4.739 1.00 0.00 N ATOM 0 H ARG A 39 -7.278 -6.326 1.206 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.519 -6.867 1.875 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.708 -7.049 3.288 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.992 -8.539 2.411 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.461 -8.033 4.002 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -5.900 -8.748 4.702 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.823 -10.574 3.046 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -4.418 -9.849 2.291 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.880 -10.282 5.085 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -4.464 -12.088 2.111 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -3.357 -13.395 2.545 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.416 -11.948 5.615 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.204 -13.316 4.518 1.00 0.00 H new ATOM 600 N SER A 40 -6.131 -8.824 -0.249 1.00 0.00 N ATOM 601 CA SER A 40 -5.936 -9.921 -1.200 1.00 0.00 C ATOM 602 C SER A 40 -5.060 -9.505 -2.376 1.00 0.00 C ATOM 603 O SER A 40 -4.250 -10.291 -2.866 1.00 0.00 O ATOM 604 CB SER A 40 -7.281 -10.438 -1.711 1.00 0.00 C ATOM 605 OG SER A 40 -8.077 -9.379 -2.214 1.00 0.00 O ATOM 0 H SER A 40 -7.077 -8.442 -0.232 1.00 0.00 H new ATOM 0 HA SER A 40 -5.423 -10.721 -0.666 1.00 0.00 H new ATOM 0 HB2 SER A 40 -7.116 -11.177 -2.495 1.00 0.00 H new ATOM 0 HB3 SER A 40 -7.811 -10.943 -0.903 1.00 0.00 H new ATOM 0 HG SER A 40 -8.591 -8.979 -1.481 1.00 0.00 H new ATOM 611 N LEU A 41 -5.227 -8.271 -2.826 1.00 0.00 N ATOM 612 CA LEU A 41 -4.432 -7.737 -3.915 1.00 0.00 C ATOM 613 C LEU A 41 -2.970 -7.680 -3.515 1.00 0.00 C ATOM 614 O LEU A 41 -2.092 -7.966 -4.316 1.00 0.00 O ATOM 615 CB LEU A 41 -4.981 -6.359 -4.290 1.00 0.00 C ATOM 616 CG LEU A 41 -4.486 -5.749 -5.602 1.00 0.00 C ATOM 617 CD1 LEU A 41 -3.352 -4.776 -5.347 1.00 0.00 C ATOM 618 CD2 LEU A 41 -4.052 -6.832 -6.584 1.00 0.00 C ATOM 0 H LEU A 41 -5.913 -7.617 -2.448 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.497 -8.385 -4.789 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.068 -6.429 -4.337 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.741 -5.667 -3.483 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.316 -5.202 -6.049 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.015 -4.354 -6.294 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.700 -3.974 -4.696 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.524 -5.299 -4.868 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.705 -6.368 -7.507 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.244 -7.417 -6.146 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.897 -7.486 -6.801 1.00 0.00 H new ATOM 630 N PHE A 42 -2.708 -7.348 -2.272 1.00 0.00 N ATOM 631 CA PHE A 42 -1.348 -7.342 -1.781 1.00 0.00 C ATOM 632 C PHE A 42 -0.908 -8.745 -1.409 1.00 0.00 C ATOM 633 O PHE A 42 0.279 -9.055 -1.419 1.00 0.00 O ATOM 634 CB PHE A 42 -1.201 -6.353 -0.629 1.00 0.00 C ATOM 635 CG PHE A 42 -1.147 -4.942 -1.136 1.00 0.00 C ATOM 636 CD1 PHE A 42 0.031 -4.210 -1.080 1.00 0.00 C ATOM 637 CD2 PHE A 42 -2.265 -4.363 -1.717 1.00 0.00 C ATOM 638 CE1 PHE A 42 0.084 -2.932 -1.597 1.00 0.00 C ATOM 639 CE2 PHE A 42 -2.212 -3.088 -2.224 1.00 0.00 C ATOM 640 CZ PHE A 42 -1.037 -2.380 -2.167 1.00 0.00 C ATOM 0 H PHE A 42 -3.413 -7.080 -1.585 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.682 -7.005 -2.575 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -2.039 -6.464 0.060 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.294 -6.576 -0.067 1.00 0.00 H new ATOM 0 HD1 PHE A 42 0.911 -4.643 -0.629 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -3.188 -4.921 -1.771 1.00 0.00 H new ATOM 0 HE1 PHE A 42 1.004 -2.368 -1.554 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -3.092 -2.644 -2.666 1.00 0.00 H new ATOM 0 HZ PHE A 42 -0.994 -1.380 -2.574 1.00 0.00 H new ATOM 650 N SER A 43 -1.874 -9.604 -1.124 1.00 0.00 N ATOM 651 CA SER A 43 -1.591 -11.009 -0.910 1.00 0.00 C ATOM 652 C SER A 43 -1.187 -11.658 -2.235 1.00 0.00 C ATOM 653 O SER A 43 -0.612 -12.744 -2.257 1.00 0.00 O ATOM 654 CB SER A 43 -2.805 -11.725 -0.315 1.00 0.00 C ATOM 655 OG SER A 43 -2.472 -13.036 0.116 1.00 0.00 O ATOM 0 H SER A 43 -2.858 -9.351 -1.036 1.00 0.00 H new ATOM 0 HA SER A 43 -0.768 -11.097 -0.201 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.192 -11.151 0.527 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.600 -11.776 -1.059 1.00 0.00 H new ATOM 0 HG SER A 43 -3.291 -13.523 0.344 1.00 0.00 H new ATOM 661 N SER A 44 -1.491 -10.977 -3.339 1.00 0.00 N ATOM 662 CA SER A 44 -1.120 -11.467 -4.654 1.00 0.00 C ATOM 663 C SER A 44 0.396 -11.394 -4.810 1.00 0.00 C ATOM 664 O SER A 44 1.020 -12.268 -5.414 1.00 0.00 O ATOM 665 CB SER A 44 -1.825 -10.658 -5.753 1.00 0.00 C ATOM 666 OG SER A 44 -1.096 -9.493 -6.105 1.00 0.00 O ATOM 0 H SER A 44 -1.991 -10.088 -3.343 1.00 0.00 H new ATOM 0 HA SER A 44 -1.438 -12.505 -4.754 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.957 -11.284 -6.636 1.00 0.00 H new ATOM 0 HB3 SER A 44 -2.820 -10.374 -5.412 1.00 0.00 H new ATOM 0 HG SER A 44 -1.577 -8.699 -5.791 1.00 0.00 H new ATOM 672 N ILE A 45 0.975 -10.336 -4.253 1.00 0.00 N ATOM 673 CA ILE A 45 2.425 -10.194 -4.184 1.00 0.00 C ATOM 674 C ILE A 45 3.027 -11.260 -3.277 1.00 0.00 C ATOM 675 O ILE A 45 4.022 -11.898 -3.618 1.00 0.00 O ATOM 676 CB ILE A 45 2.815 -8.794 -3.656 1.00 0.00 C ATOM 677 CG1 ILE A 45 2.543 -7.742 -4.721 1.00 0.00 C ATOM 678 CG2 ILE A 45 4.279 -8.746 -3.233 1.00 0.00 C ATOM 679 CD1 ILE A 45 3.616 -7.674 -5.770 1.00 0.00 C ATOM 0 H ILE A 45 0.458 -9.559 -3.840 1.00 0.00 H new ATOM 0 HA ILE A 45 2.818 -10.317 -5.193 1.00 0.00 H new ATOM 0 HB ILE A 45 2.206 -8.584 -2.777 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.588 -7.957 -5.200 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.448 -6.767 -4.244 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.519 -7.748 -2.867 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.453 -9.474 -2.441 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.913 -8.981 -4.088 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.363 -6.905 -6.500 1.00 0.00 H new ATOM 0 HD12 ILE A 45 4.569 -7.429 -5.301 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.696 -8.638 -6.272 1.00 0.00 H new ATOM 691 N GLY A 46 2.395 -11.464 -2.140 1.00 0.00 N ATOM 692 CA GLY A 46 2.906 -12.393 -1.161 1.00 0.00 C ATOM 693 C GLY A 46 2.083 -12.350 0.098 1.00 0.00 C ATOM 694 O GLY A 46 0.956 -11.863 0.083 1.00 0.00 O ATOM 0 H GLY A 46 1.528 -10.998 -1.874 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.897 -13.403 -1.572 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.944 -12.151 -0.931 1.00 0.00 H new ATOM 698 N GLU A 47 2.628 -12.843 1.193 1.00 0.00 N ATOM 699 CA GLU A 47 1.889 -12.842 2.435 1.00 0.00 C ATOM 700 C GLU A 47 1.798 -11.464 3.044 1.00 0.00 C ATOM 701 O GLU A 47 2.764 -10.702 3.081 1.00 0.00 O ATOM 702 CB GLU A 47 2.471 -13.796 3.442 1.00 0.00 C ATOM 703 CG GLU A 47 1.618 -15.027 3.609 1.00 0.00 C ATOM 704 CD GLU A 47 0.139 -14.766 3.376 1.00 0.00 C ATOM 705 OE1 GLU A 47 -0.380 -15.170 2.315 1.00 0.00 O ATOM 706 OE2 GLU A 47 -0.510 -14.159 4.252 1.00 0.00 O1- ATOM 0 H GLU A 47 3.565 -13.243 1.247 1.00 0.00 H new ATOM 0 HA GLU A 47 0.883 -13.176 2.179 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.473 -14.089 3.128 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.573 -13.292 4.403 1.00 0.00 H new ATOM 0 HG2 GLU A 47 1.959 -15.794 2.914 1.00 0.00 H new ATOM 0 HG3 GLU A 47 1.756 -15.424 4.615 1.00 0.00 H new ATOM 713 N VAL A 48 0.625 -11.186 3.559 1.00 0.00 N ATOM 714 CA VAL A 48 0.332 -9.904 4.156 1.00 0.00 C ATOM 715 C VAL A 48 0.073 -10.085 5.621 1.00 0.00 C ATOM 716 O VAL A 48 -0.785 -10.862 6.040 1.00 0.00 O ATOM 717 CB VAL A 48 -0.865 -9.209 3.470 1.00 0.00 C ATOM 718 CG1 VAL A 48 -1.298 -7.977 4.248 1.00 0.00 C ATOM 719 CG2 VAL A 48 -0.504 -8.843 2.040 1.00 0.00 C ATOM 0 H VAL A 48 -0.155 -11.843 3.576 1.00 0.00 H new ATOM 0 HA VAL A 48 1.197 -9.255 4.017 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.705 -9.903 3.453 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -2.142 -7.506 3.744 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.594 -8.268 5.256 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.469 -7.271 4.303 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -1.354 -8.354 1.564 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.350 -8.166 2.042 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.249 -9.747 1.486 1.00 0.00 H new ATOM 729 N GLU A 49 0.864 -9.381 6.389 1.00 0.00 N ATOM 730 CA GLU A 49 0.832 -9.491 7.808 1.00 0.00 C ATOM 731 C GLU A 49 -0.451 -8.864 8.348 1.00 0.00 C ATOM 732 O GLU A 49 -1.137 -9.453 9.183 1.00 0.00 O ATOM 733 CB GLU A 49 2.063 -8.833 8.392 1.00 0.00 C ATOM 734 CG GLU A 49 2.140 -9.011 9.888 1.00 0.00 C ATOM 735 CD GLU A 49 3.399 -8.443 10.505 1.00 0.00 C ATOM 736 OE1 GLU A 49 4.486 -8.986 10.246 1.00 0.00 O ATOM 737 OE2 GLU A 49 3.302 -7.461 11.271 1.00 0.00 O1- ATOM 0 H GLU A 49 1.550 -8.713 6.036 1.00 0.00 H new ATOM 0 HA GLU A 49 0.837 -10.541 8.101 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.955 -9.256 7.930 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.054 -7.770 8.153 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.274 -8.534 10.347 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.079 -10.074 10.122 1.00 0.00 H new ATOM 744 N SER A 50 -0.783 -7.678 7.840 1.00 0.00 N ATOM 745 CA SER A 50 -2.042 -7.023 8.194 1.00 0.00 C ATOM 746 C SER A 50 -2.370 -5.920 7.191 1.00 0.00 C ATOM 747 O SER A 50 -1.523 -5.086 6.883 1.00 0.00 O ATOM 748 CB SER A 50 -1.962 -6.449 9.610 1.00 0.00 C ATOM 749 OG SER A 50 -0.850 -5.580 9.750 1.00 0.00 O ATOM 0 H SER A 50 -0.202 -7.153 7.186 1.00 0.00 H new ATOM 0 HA SER A 50 -2.840 -7.765 8.164 1.00 0.00 H new ATOM 0 HB2 SER A 50 -2.880 -5.908 9.838 1.00 0.00 H new ATOM 0 HB3 SER A 50 -1.884 -7.263 10.331 1.00 0.00 H new ATOM 0 HG SER A 50 -0.619 -5.201 8.876 1.00 0.00 H new ATOM 755 N ALA A 51 -3.589 -5.918 6.665 1.00 0.00 N ATOM 756 CA ALA A 51 -3.979 -4.908 5.695 1.00 0.00 C ATOM 757 C ALA A 51 -5.183 -4.113 6.164 1.00 0.00 C ATOM 758 O ALA A 51 -6.279 -4.646 6.333 1.00 0.00 O ATOM 759 CB ALA A 51 -4.240 -5.520 4.335 1.00 0.00 C ATOM 0 H ALA A 51 -4.316 -6.597 6.892 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.141 -4.217 5.601 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.529 -4.738 3.633 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.335 -6.011 3.977 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -5.044 -6.252 4.414 1.00 0.00 H new ATOM 765 N LYS A 52 -4.959 -2.831 6.363 1.00 0.00 N ATOM 766 CA LYS A 52 -5.969 -1.937 6.873 1.00 0.00 C ATOM 767 C LYS A 52 -6.589 -1.128 5.740 1.00 0.00 C ATOM 768 O LYS A 52 -5.878 -0.546 4.926 1.00 0.00 O ATOM 769 CB LYS A 52 -5.322 -0.999 7.888 1.00 0.00 C ATOM 770 CG LYS A 52 -6.276 -0.012 8.518 1.00 0.00 C ATOM 771 CD LYS A 52 -5.510 1.121 9.171 1.00 0.00 C ATOM 772 CE LYS A 52 -4.705 0.651 10.363 1.00 0.00 C ATOM 773 NZ LYS A 52 -4.099 1.789 11.106 1.00 0.00 N1+ ATOM 0 H LYS A 52 -4.064 -2.380 6.173 1.00 0.00 H new ATOM 0 HA LYS A 52 -6.760 -2.516 7.349 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.863 -1.596 8.676 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.520 -0.448 7.397 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.950 0.386 7.760 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.894 -0.517 9.261 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.842 1.575 8.439 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -6.209 1.895 9.488 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -5.348 0.081 11.033 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -3.918 -0.023 10.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -3.556 1.426 11.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -3.466 2.319 10.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.851 2.419 11.449 1.00 0.00 H new ATOM 787 N LEU A 53 -7.905 -1.108 5.692 1.00 0.00 N ATOM 788 CA LEU A 53 -8.641 -0.267 4.762 1.00 0.00 C ATOM 789 C LEU A 53 -9.230 0.899 5.526 1.00 0.00 C ATOM 790 O LEU A 53 -9.789 0.717 6.613 1.00 0.00 O ATOM 791 CB LEU A 53 -9.761 -1.056 4.095 1.00 0.00 C ATOM 792 CG LEU A 53 -10.785 -0.213 3.343 1.00 0.00 C ATOM 793 CD1 LEU A 53 -10.544 -0.251 1.842 1.00 0.00 C ATOM 794 CD2 LEU A 53 -12.183 -0.690 3.675 1.00 0.00 C ATOM 0 H LEU A 53 -8.499 -1.675 6.297 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.963 0.090 3.987 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.318 -1.769 3.399 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -10.280 -1.636 4.858 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.677 0.824 3.662 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -11.292 0.361 1.338 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -9.550 0.138 1.623 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -10.617 -1.279 1.488 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -12.912 -0.085 3.136 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -12.290 -1.734 3.382 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -12.355 -0.595 4.747 1.00 0.00 H new ATOM 806 N ILE A 54 -9.106 2.090 4.984 1.00 0.00 N ATOM 807 CA ILE A 54 -9.607 3.259 5.670 1.00 0.00 C ATOM 808 C ILE A 54 -10.912 3.729 5.062 1.00 0.00 C ATOM 809 O ILE A 54 -10.969 4.127 3.896 1.00 0.00 O ATOM 810 CB ILE A 54 -8.614 4.420 5.638 1.00 0.00 C ATOM 811 CG1 ILE A 54 -7.227 3.968 6.111 1.00 0.00 C ATOM 812 CG2 ILE A 54 -9.131 5.568 6.495 1.00 0.00 C ATOM 813 CD1 ILE A 54 -7.210 3.359 7.496 1.00 0.00 C ATOM 0 H ILE A 54 -8.668 2.274 4.081 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.763 2.957 6.706 1.00 0.00 H new ATOM 0 HB ILE A 54 -8.516 4.767 4.609 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.833 3.240 5.402 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -6.553 4.825 6.095 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.418 6.392 6.468 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -10.092 5.907 6.108 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -9.253 5.228 7.523 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.192 3.067 7.753 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.571 4.090 8.219 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -7.855 2.481 7.515 1.00 0.00 H new ATOM 825 N ARG A 55 -11.950 3.682 5.862 1.00 0.00 N ATOM 826 CA ARG A 55 -13.232 4.217 5.475 1.00 0.00 C ATOM 827 C ARG A 55 -13.626 5.287 6.472 1.00 0.00 C ATOM 828 O ARG A 55 -13.011 5.404 7.532 1.00 0.00 O ATOM 829 CB ARG A 55 -14.307 3.131 5.432 1.00 0.00 C ATOM 830 CG ARG A 55 -13.988 1.946 4.537 1.00 0.00 C ATOM 831 CD ARG A 55 -15.164 1.655 3.622 1.00 0.00 C ATOM 832 NE ARG A 55 -15.098 0.355 2.963 1.00 0.00 N ATOM 833 CZ ARG A 55 -16.075 -0.550 3.018 1.00 0.00 C ATOM 834 NH1 ARG A 55 -17.159 -0.328 3.754 1.00 0.00 N1+ ATOM 835 NH2 ARG A 55 -15.967 -1.677 2.332 1.00 0.00 N ATOM 0 H ARG A 55 -11.930 3.273 6.796 1.00 0.00 H new ATOM 0 HA ARG A 55 -13.149 4.636 4.472 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -14.475 2.767 6.446 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -15.242 3.580 5.096 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -13.098 2.157 3.944 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -13.765 1.070 5.146 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -16.085 1.710 4.203 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -15.220 2.434 2.861 1.00 0.00 H new ATOM 0 HE ARG A 55 -14.258 0.126 2.431 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -17.248 0.540 4.282 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -17.902 -1.026 3.791 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -15.138 -1.851 1.764 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -16.713 -2.372 2.372 1.00 0.00 H new ATOM 849 N ASP A 56 -14.627 6.079 6.133 1.00 0.00 N ATOM 850 CA ASP A 56 -15.118 7.092 7.048 1.00 0.00 C ATOM 851 C ASP A 56 -15.747 6.435 8.262 1.00 0.00 C ATOM 852 O ASP A 56 -16.492 5.462 8.150 1.00 0.00 O ATOM 853 CB ASP A 56 -16.132 8.009 6.376 1.00 0.00 C ATOM 854 CG ASP A 56 -16.551 9.163 7.257 1.00 0.00 C ATOM 855 OD1 ASP A 56 -15.816 10.162 7.331 1.00 0.00 O ATOM 856 OD2 ASP A 56 -17.627 9.072 7.876 1.00 0.00 O1- ATOM 0 H ASP A 56 -15.113 6.041 5.237 1.00 0.00 H new ATOM 0 HA ASP A 56 -14.268 7.699 7.359 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -15.706 8.399 5.452 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -17.013 7.429 6.101 1.00 0.00 H new ATOM 861 N LYS A 57 -15.424 6.994 9.407 1.00 0.00 N ATOM 862 CA LYS A 57 -15.848 6.513 10.706 1.00 0.00 C ATOM 863 C LYS A 57 -17.360 6.487 10.871 1.00 0.00 C ATOM 864 O LYS A 57 -17.883 5.870 11.798 1.00 0.00 O ATOM 865 CB LYS A 57 -15.203 7.403 11.758 1.00 0.00 C ATOM 866 CG LYS A 57 -15.787 8.799 11.905 1.00 0.00 C ATOM 867 CD LYS A 57 -15.996 9.525 10.575 1.00 0.00 C ATOM 868 CE LYS A 57 -16.049 11.031 10.763 1.00 0.00 C ATOM 869 NZ LYS A 57 -16.206 11.746 9.470 1.00 0.00 N1+ ATOM 0 H LYS A 57 -14.837 7.827 9.463 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.529 5.477 10.817 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -15.272 6.899 12.722 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -14.143 7.498 11.523 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -16.743 8.730 12.424 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -15.125 9.395 12.533 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -15.187 9.271 9.890 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -16.923 9.182 10.114 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -16.879 11.286 11.422 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -15.137 11.368 11.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -15.680 12.642 9.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -15.835 11.155 8.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -17.213 11.942 9.302 1.00 0.00 H new ATOM 883 N VAL A 58 -18.049 7.139 9.962 1.00 0.00 N ATOM 884 CA VAL A 58 -19.482 7.298 10.055 1.00 0.00 C ATOM 885 C VAL A 58 -20.172 6.819 8.795 1.00 0.00 C ATOM 886 O VAL A 58 -21.075 5.982 8.841 1.00 0.00 O ATOM 887 CB VAL A 58 -19.811 8.777 10.303 1.00 0.00 C ATOM 888 CG1 VAL A 58 -21.294 9.055 10.168 1.00 0.00 C ATOM 889 CG2 VAL A 58 -19.303 9.168 11.669 1.00 0.00 C ATOM 0 H VAL A 58 -17.632 7.573 9.139 1.00 0.00 H new ATOM 0 HA VAL A 58 -19.845 6.692 10.885 1.00 0.00 H new ATOM 0 HB VAL A 58 -19.314 9.381 9.544 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -21.484 10.113 10.351 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -21.623 8.796 9.161 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -21.844 8.456 10.894 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -19.532 10.217 11.856 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -19.786 8.551 12.427 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -18.224 9.018 11.713 1.00 0.00 H new ATOM 899 N ALA A 59 -19.732 7.346 7.672 1.00 0.00 N ATOM 900 CA ALA A 59 -20.375 7.063 6.399 1.00 0.00 C ATOM 901 C ALA A 59 -19.999 5.693 5.850 1.00 0.00 C ATOM 902 O ALA A 59 -20.580 5.220 4.874 1.00 0.00 O ATOM 903 CB ALA A 59 -20.054 8.155 5.399 1.00 0.00 C ATOM 0 H ALA A 59 -18.931 7.974 7.611 1.00 0.00 H new ATOM 0 HA ALA A 59 -21.451 7.044 6.572 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -20.541 7.933 4.449 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -20.415 9.112 5.777 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -18.975 8.207 5.251 1.00 0.00 H new ATOM 909 N GLY A 60 -19.026 5.068 6.495 1.00 0.00 N ATOM 910 CA GLY A 60 -18.580 3.739 6.104 1.00 0.00 C ATOM 911 C GLY A 60 -18.088 3.678 4.670 1.00 0.00 C ATOM 912 O GLY A 60 -18.089 2.617 4.048 1.00 0.00 O ATOM 0 H GLY A 60 -18.529 5.461 7.294 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -17.779 3.419 6.771 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -19.401 3.034 6.231 1.00 0.00 H new ATOM 916 N HIS A 61 -17.668 4.821 4.150 1.00 0.00 N ATOM 917 CA HIS A 61 -17.216 4.922 2.770 1.00 0.00 C ATOM 918 C HIS A 61 -15.706 5.019 2.724 1.00 0.00 C ATOM 919 O HIS A 61 -15.106 5.788 3.472 1.00 0.00 O ATOM 920 CB HIS A 61 -17.877 6.130 2.103 1.00 0.00 C ATOM 921 CG HIS A 61 -17.325 6.523 0.761 1.00 0.00 C ATOM 922 ND1 HIS A 61 -17.909 6.149 -0.427 1.00 0.00 N ATOM 923 CD2 HIS A 61 -16.269 7.303 0.428 1.00 0.00 C ATOM 924 CE1 HIS A 61 -17.239 6.680 -1.432 1.00 0.00 C ATOM 925 NE2 HIS A 61 -16.240 7.383 -0.939 1.00 0.00 N ATOM 0 H HIS A 61 -17.631 5.699 4.668 1.00 0.00 H new ATOM 0 HA HIS A 61 -17.507 4.027 2.220 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -18.941 5.921 1.990 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -17.790 6.984 2.774 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -18.732 5.554 -0.517 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -15.579 7.774 1.112 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -17.470 6.559 -2.480 1.00 0.00 H new ATOM 934 N SER A 62 -15.106 4.219 1.857 1.00 0.00 N ATOM 935 CA SER A 62 -13.657 4.167 1.737 1.00 0.00 C ATOM 936 C SER A 62 -13.119 5.537 1.369 1.00 0.00 C ATOM 937 O SER A 62 -13.530 6.124 0.373 1.00 0.00 O ATOM 938 CB SER A 62 -13.236 3.133 0.686 1.00 0.00 C ATOM 939 OG SER A 62 -11.828 3.090 0.531 1.00 0.00 O ATOM 0 H SER A 62 -15.603 3.594 1.223 1.00 0.00 H new ATOM 0 HA SER A 62 -13.240 3.866 2.698 1.00 0.00 H new ATOM 0 HB2 SER A 62 -13.601 2.148 0.977 1.00 0.00 H new ATOM 0 HB3 SER A 62 -13.701 3.375 -0.270 1.00 0.00 H new ATOM 0 HG SER A 62 -11.608 2.851 -0.394 1.00 0.00 H new ATOM 945 N LEU A 63 -12.204 6.041 2.181 1.00 0.00 N ATOM 946 CA LEU A 63 -11.668 7.377 1.977 1.00 0.00 C ATOM 947 C LEU A 63 -10.625 7.362 0.873 1.00 0.00 C ATOM 948 O LEU A 63 -10.223 8.406 0.362 1.00 0.00 O ATOM 949 CB LEU A 63 -11.088 7.915 3.285 1.00 0.00 C ATOM 950 CG LEU A 63 -12.092 7.991 4.439 1.00 0.00 C ATOM 951 CD1 LEU A 63 -11.453 8.574 5.685 1.00 0.00 C ATOM 952 CD2 LEU A 63 -13.312 8.810 4.039 1.00 0.00 C ATOM 0 H LEU A 63 -11.818 5.547 2.985 1.00 0.00 H new ATOM 0 HA LEU A 63 -12.473 8.043 1.666 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -10.254 7.281 3.586 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -10.683 8.911 3.106 1.00 0.00 H new ATOM 0 HG LEU A 63 -12.413 6.974 4.666 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -12.190 8.615 6.487 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.617 7.946 5.993 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.092 9.580 5.472 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -14.012 8.851 4.873 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -13.001 9.821 3.776 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -13.797 8.345 3.181 1.00 0.00 H new ATOM 964 N GLY A 64 -10.210 6.165 0.494 1.00 0.00 N ATOM 965 CA GLY A 64 -9.331 6.016 -0.642 1.00 0.00 C ATOM 966 C GLY A 64 -7.889 5.783 -0.261 1.00 0.00 C ATOM 967 O GLY A 64 -6.987 6.145 -1.008 1.00 0.00 O ATOM 0 H GLY A 64 -10.468 5.292 0.955 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.677 5.181 -1.252 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.395 6.911 -1.261 1.00 0.00 H new ATOM 971 N TYR A 65 -7.661 5.183 0.895 1.00 0.00 N ATOM 972 CA TYR A 65 -6.309 4.808 1.290 1.00 0.00 C ATOM 973 C TYR A 65 -6.338 3.732 2.363 1.00 0.00 C ATOM 974 O TYR A 65 -7.379 3.475 2.969 1.00 0.00 O ATOM 975 CB TYR A 65 -5.497 6.031 1.751 1.00 0.00 C ATOM 976 CG TYR A 65 -5.917 6.637 3.063 1.00 0.00 C ATOM 977 CD1 TYR A 65 -5.122 6.482 4.186 1.00 0.00 C ATOM 978 CD2 TYR A 65 -7.083 7.376 3.177 1.00 0.00 C ATOM 979 CE1 TYR A 65 -5.475 7.049 5.390 1.00 0.00 C ATOM 980 CE2 TYR A 65 -7.448 7.943 4.379 1.00 0.00 C ATOM 981 CZ TYR A 65 -6.640 7.778 5.485 1.00 0.00 C ATOM 982 OH TYR A 65 -6.997 8.343 6.691 1.00 0.00 O ATOM 0 H TYR A 65 -8.385 4.946 1.573 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.809 4.397 0.413 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -4.449 5.741 1.825 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.562 6.799 0.980 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.210 5.907 4.116 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -7.715 7.510 2.312 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -4.842 6.923 6.256 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -8.362 8.514 4.455 1.00 0.00 H new ATOM 0 HH TYR A 65 -7.844 8.825 6.589 1.00 0.00 H new ATOM 992 N GLY A 66 -5.198 3.089 2.568 1.00 0.00 N ATOM 993 CA GLY A 66 -5.096 2.030 3.545 1.00 0.00 C ATOM 994 C GLY A 66 -3.656 1.693 3.860 1.00 0.00 C ATOM 995 O GLY A 66 -2.739 2.316 3.323 1.00 0.00 O ATOM 0 H GLY A 66 -4.332 3.287 2.067 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -5.608 2.329 4.460 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -5.604 1.141 3.172 1.00 0.00 H new ATOM 999 N PHE A 67 -3.454 0.708 4.722 1.00 0.00 N ATOM 1000 CA PHE A 67 -2.120 0.358 5.189 1.00 0.00 C ATOM 1001 C PHE A 67 -1.962 -1.156 5.273 1.00 0.00 C ATOM 1002 O PHE A 67 -2.509 -1.786 6.176 1.00 0.00 O ATOM 1003 CB PHE A 67 -1.875 0.959 6.580 1.00 0.00 C ATOM 1004 CG PHE A 67 -1.993 2.458 6.650 1.00 0.00 C ATOM 1005 CD1 PHE A 67 -0.868 3.257 6.558 1.00 0.00 C ATOM 1006 CD2 PHE A 67 -3.227 3.065 6.819 1.00 0.00 C ATOM 1007 CE1 PHE A 67 -0.970 4.632 6.633 1.00 0.00 C ATOM 1008 CE2 PHE A 67 -3.337 4.440 6.893 1.00 0.00 C ATOM 1009 CZ PHE A 67 -2.207 5.224 6.801 1.00 0.00 C ATOM 0 H PHE A 67 -4.200 0.134 5.114 1.00 0.00 H new ATOM 0 HA PHE A 67 -1.396 0.758 4.479 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -2.585 0.520 7.280 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -0.878 0.671 6.914 1.00 0.00 H new ATOM 0 HD1 PHE A 67 0.102 2.800 6.426 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -4.115 2.455 6.894 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -0.083 5.244 6.560 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -4.306 4.899 7.023 1.00 0.00 H new ATOM 0 HZ PHE A 67 -2.288 6.299 6.860 1.00 0.00 H new ATOM 1019 N VAL A 68 -1.205 -1.736 4.360 1.00 0.00 N ATOM 1020 CA VAL A 68 -0.944 -3.161 4.393 1.00 0.00 C ATOM 1021 C VAL A 68 0.507 -3.443 4.758 1.00 0.00 C ATOM 1022 O VAL A 68 1.438 -3.058 4.057 1.00 0.00 O ATOM 1023 CB VAL A 68 -1.360 -3.869 3.073 1.00 0.00 C ATOM 1024 CG1 VAL A 68 -1.595 -2.867 1.967 1.00 0.00 C ATOM 1025 CG2 VAL A 68 -0.356 -4.935 2.630 1.00 0.00 C ATOM 0 H VAL A 68 -0.761 -1.241 3.587 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.571 -3.586 5.177 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.297 -4.384 3.284 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.885 -3.391 1.056 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.391 -2.182 2.260 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.680 -2.304 1.786 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -0.699 -5.395 1.703 1.00 0.00 H new ATOM 0 HG22 VAL A 68 0.617 -4.473 2.467 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.270 -5.698 3.404 1.00 0.00 H new ATOM 1035 N ASN A 69 0.675 -4.073 5.902 1.00 0.00 N ATOM 1036 CA ASN A 69 1.972 -4.503 6.369 1.00 0.00 C ATOM 1037 C ASN A 69 2.257 -5.891 5.843 1.00 0.00 C ATOM 1038 O ASN A 69 1.467 -6.808 6.048 1.00 0.00 O ATOM 1039 CB ASN A 69 2.003 -4.524 7.896 1.00 0.00 C ATOM 1040 CG ASN A 69 3.412 -4.581 8.452 1.00 0.00 C ATOM 1041 OD1 ASN A 69 3.887 -5.775 8.747 1.00 0.00 O flip ATOM 1042 ND2 ASN A 69 4.068 -3.556 8.621 1.00 0.00 N flip ATOM 0 H ASN A 69 -0.091 -4.301 6.536 1.00 0.00 H new ATOM 0 HA ASN A 69 2.729 -3.806 6.009 1.00 0.00 H new ATOM 0 HB2 ASN A 69 1.502 -3.634 8.278 1.00 0.00 H new ATOM 0 HB3 ASN A 69 1.440 -5.386 8.255 1.00 0.00 H new ATOM 0 HD21 ASN A 69 3.668 -2.649 8.381 1.00 0.00 H new ATOM 0 HD22 ASN A 69 5.013 -3.612 9.001 1.00 0.00 H new ATOM 1049 N TYR A 70 3.359 -6.040 5.148 1.00 0.00 N ATOM 1050 CA TYR A 70 3.766 -7.333 4.641 1.00 0.00 C ATOM 1051 C TYR A 70 4.547 -8.108 5.683 1.00 0.00 C ATOM 1052 O TYR A 70 4.918 -7.576 6.725 1.00 0.00 O ATOM 1053 CB TYR A 70 4.632 -7.165 3.392 1.00 0.00 C ATOM 1054 CG TYR A 70 3.875 -7.063 2.095 1.00 0.00 C ATOM 1055 CD1 TYR A 70 3.694 -5.844 1.452 1.00 0.00 C ATOM 1056 CD2 TYR A 70 3.354 -8.201 1.502 1.00 0.00 C ATOM 1057 CE1 TYR A 70 3.014 -5.773 0.255 1.00 0.00 C ATOM 1058 CE2 TYR A 70 2.674 -8.135 0.310 1.00 0.00 C ATOM 1059 CZ TYR A 70 2.506 -6.921 -0.309 1.00 0.00 C ATOM 1060 OH TYR A 70 1.833 -6.856 -1.505 1.00 0.00 O ATOM 0 H TYR A 70 3.996 -5.277 4.918 1.00 0.00 H new ATOM 0 HA TYR A 70 2.862 -7.888 4.391 1.00 0.00 H new ATOM 0 HB2 TYR A 70 5.241 -6.269 3.510 1.00 0.00 H new ATOM 0 HB3 TYR A 70 5.317 -8.010 3.328 1.00 0.00 H new ATOM 0 HD1 TYR A 70 4.091 -4.942 1.895 1.00 0.00 H new ATOM 0 HD2 TYR A 70 3.485 -9.158 1.985 1.00 0.00 H new ATOM 0 HE1 TYR A 70 2.881 -4.821 -0.238 1.00 0.00 H new ATOM 0 HE2 TYR A 70 2.274 -9.033 -0.138 1.00 0.00 H new ATOM 0 HH TYR A 70 1.193 -7.596 -1.561 1.00 0.00 H new ATOM 1070 N VAL A 71 4.780 -9.377 5.389 1.00 0.00 N ATOM 1071 CA VAL A 71 5.616 -10.216 6.230 1.00 0.00 C ATOM 1072 C VAL A 71 7.079 -10.029 5.836 1.00 0.00 C ATOM 1073 O VAL A 71 7.998 -10.428 6.553 1.00 0.00 O ATOM 1074 CB VAL A 71 5.225 -11.702 6.100 1.00 0.00 C ATOM 1075 CG1 VAL A 71 3.770 -11.900 6.510 1.00 0.00 C ATOM 1076 CG2 VAL A 71 5.456 -12.202 4.681 1.00 0.00 C ATOM 0 H VAL A 71 4.399 -9.850 4.569 1.00 0.00 H new ATOM 0 HA VAL A 71 5.470 -9.919 7.269 1.00 0.00 H new ATOM 0 HB VAL A 71 5.859 -12.285 6.768 1.00 0.00 H new ATOM 0 HG11 VAL A 71 3.505 -12.953 6.414 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.638 -11.585 7.545 1.00 0.00 H new ATOM 0 HG13 VAL A 71 3.126 -11.304 5.864 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.173 -13.252 4.615 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.851 -11.619 3.987 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.510 -12.093 4.424 1.00 0.00 H new ATOM 1086 N THR A 72 7.267 -9.416 4.676 1.00 0.00 N ATOM 1087 CA THR A 72 8.581 -9.135 4.128 1.00 0.00 C ATOM 1088 C THR A 72 8.664 -7.693 3.660 1.00 0.00 C ATOM 1089 O THR A 72 7.682 -7.129 3.179 1.00 0.00 O ATOM 1090 CB THR A 72 8.863 -10.015 2.906 1.00 0.00 C ATOM 1091 OG1 THR A 72 7.644 -10.226 2.187 1.00 0.00 O ATOM 1092 CG2 THR A 72 9.481 -11.348 3.279 1.00 0.00 C ATOM 0 H THR A 72 6.500 -9.097 4.084 1.00 0.00 H new ATOM 0 HA THR A 72 9.305 -9.332 4.919 1.00 0.00 H new ATOM 0 HB THR A 72 9.588 -9.493 2.282 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.810 -10.828 1.432 1.00 0.00 H new ATOM 0 HG21 THR A 72 9.660 -11.931 2.376 1.00 0.00 H new ATOM 0 HG22 THR A 72 10.426 -11.179 3.795 1.00 0.00 H new ATOM 0 HG23 THR A 72 8.802 -11.893 3.935 1.00 0.00 H new ATOM 1100 N ALA A 73 9.837 -7.104 3.785 1.00 0.00 N ATOM 1101 CA ALA A 73 10.095 -5.811 3.177 1.00 0.00 C ATOM 1102 C ALA A 73 10.492 -6.038 1.726 1.00 0.00 C ATOM 1103 O ALA A 73 10.514 -5.123 0.902 1.00 0.00 O ATOM 1104 CB ALA A 73 11.177 -5.060 3.937 1.00 0.00 C ATOM 0 H ALA A 73 10.625 -7.497 4.300 1.00 0.00 H new ATOM 0 HA ALA A 73 9.197 -5.194 3.217 1.00 0.00 H new ATOM 0 HB1 ALA A 73 11.352 -4.095 3.462 1.00 0.00 H new ATOM 0 HB2 ALA A 73 10.857 -4.905 4.967 1.00 0.00 H new ATOM 0 HB3 ALA A 73 12.099 -5.642 3.927 1.00 0.00 H new ATOM 1110 N LYS A 74 10.797 -7.297 1.444 1.00 0.00 N ATOM 1111 CA LYS A 74 11.084 -7.770 0.103 1.00 0.00 C ATOM 1112 C LYS A 74 9.836 -7.700 -0.777 1.00 0.00 C ATOM 1113 O LYS A 74 9.863 -7.147 -1.875 1.00 0.00 O ATOM 1114 CB LYS A 74 11.619 -9.200 0.206 1.00 0.00 C ATOM 1115 CG LYS A 74 11.638 -9.950 -1.102 1.00 0.00 C ATOM 1116 CD LYS A 74 10.627 -11.079 -1.089 1.00 0.00 C ATOM 1117 CE LYS A 74 10.239 -11.452 -2.503 1.00 0.00 C ATOM 1118 NZ LYS A 74 9.229 -12.544 -2.540 1.00 0.00 N1+ ATOM 0 H LYS A 74 10.852 -8.027 2.154 1.00 0.00 H new ATOM 0 HA LYS A 74 11.835 -7.135 -0.367 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.632 -9.169 0.608 1.00 0.00 H new ATOM 0 HB3 LYS A 74 11.009 -9.753 0.920 1.00 0.00 H new ATOM 0 HG2 LYS A 74 11.416 -9.267 -1.922 1.00 0.00 H new ATOM 0 HG3 LYS A 74 12.635 -10.351 -1.282 1.00 0.00 H new ATOM 0 HD2 LYS A 74 11.046 -11.946 -0.579 1.00 0.00 H new ATOM 0 HD3 LYS A 74 9.742 -10.777 -0.529 1.00 0.00 H new ATOM 0 HE2 LYS A 74 9.841 -10.574 -3.012 1.00 0.00 H new ATOM 0 HE3 LYS A 74 11.128 -11.763 -3.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 9.364 -13.113 -3.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 9.342 -13.150 -1.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 8.274 -12.133 -2.544 1.00 0.00 H new ATOM 1132 N ASP A 75 8.737 -8.251 -0.279 1.00 0.00 N ATOM 1133 CA ASP A 75 7.471 -8.231 -1.009 1.00 0.00 C ATOM 1134 C ASP A 75 6.806 -6.861 -0.891 1.00 0.00 C ATOM 1135 O ASP A 75 5.903 -6.538 -1.656 1.00 0.00 O ATOM 1136 CB ASP A 75 6.541 -9.350 -0.522 1.00 0.00 C ATOM 1137 CG ASP A 75 7.028 -10.729 -0.944 1.00 0.00 C ATOM 1138 OD1 ASP A 75 6.830 -11.115 -2.118 1.00 0.00 O ATOM 1139 OD2 ASP A 75 7.630 -11.436 -0.110 1.00 0.00 O1- ATOM 0 H ASP A 75 8.694 -8.718 0.627 1.00 0.00 H new ATOM 0 HA ASP A 75 7.678 -8.413 -2.064 1.00 0.00 H new ATOM 0 HB2 ASP A 75 6.466 -9.310 0.565 1.00 0.00 H new ATOM 0 HB3 ASP A 75 5.539 -9.184 -0.917 1.00 0.00 H new ATOM 1144 N ALA A 76 7.260 -6.058 0.065 1.00 0.00 N ATOM 1145 CA ALA A 76 6.800 -4.674 0.185 1.00 0.00 C ATOM 1146 C ALA A 76 7.220 -3.870 -1.044 1.00 0.00 C ATOM 1147 O ALA A 76 6.380 -3.310 -1.748 1.00 0.00 O ATOM 1148 CB ALA A 76 7.345 -4.039 1.461 1.00 0.00 C ATOM 0 H ALA A 76 7.944 -6.338 0.768 1.00 0.00 H new ATOM 0 HA ALA A 76 5.712 -4.670 0.243 1.00 0.00 H new ATOM 0 HB1 ALA A 76 6.993 -3.010 1.534 1.00 0.00 H new ATOM 0 HB2 ALA A 76 6.997 -4.604 2.326 1.00 0.00 H new ATOM 0 HB3 ALA A 76 8.435 -4.049 1.436 1.00 0.00 H new ATOM 1154 N GLU A 77 8.521 -3.835 -1.311 1.00 0.00 N ATOM 1155 CA GLU A 77 9.043 -3.219 -2.528 1.00 0.00 C ATOM 1156 C GLU A 77 8.424 -3.877 -3.753 1.00 0.00 C ATOM 1157 O GLU A 77 8.166 -3.222 -4.764 1.00 0.00 O ATOM 1158 CB GLU A 77 10.568 -3.357 -2.555 1.00 0.00 C ATOM 1159 CG GLU A 77 11.197 -2.981 -3.884 1.00 0.00 C ATOM 1160 CD GLU A 77 12.707 -3.062 -3.858 1.00 0.00 C ATOM 1161 OE1 GLU A 77 13.356 -2.058 -3.492 1.00 0.00 O ATOM 1162 OE2 GLU A 77 13.259 -4.124 -4.217 1.00 0.00 O1- ATOM 0 H GLU A 77 9.237 -4.227 -0.699 1.00 0.00 H new ATOM 0 HA GLU A 77 8.783 -2.160 -2.540 1.00 0.00 H new ATOM 0 HB2 GLU A 77 10.994 -2.729 -1.772 1.00 0.00 H new ATOM 0 HB3 GLU A 77 10.834 -4.387 -2.317 1.00 0.00 H new ATOM 0 HG2 GLU A 77 10.815 -3.642 -4.662 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.896 -1.968 -4.150 1.00 0.00 H new ATOM 1169 N ARG A 78 8.148 -5.167 -3.631 1.00 0.00 N ATOM 1170 CA ARG A 78 7.569 -5.937 -4.709 1.00 0.00 C ATOM 1171 C ARG A 78 6.155 -5.440 -4.996 1.00 0.00 C ATOM 1172 O ARG A 78 5.723 -5.385 -6.144 1.00 0.00 O ATOM 1173 CB ARG A 78 7.571 -7.411 -4.318 1.00 0.00 C ATOM 1174 CG ARG A 78 7.283 -8.376 -5.447 1.00 0.00 C ATOM 1175 CD ARG A 78 7.452 -9.804 -4.968 1.00 0.00 C ATOM 1176 NE ARG A 78 7.275 -10.788 -6.032 1.00 0.00 N ATOM 1177 CZ ARG A 78 6.946 -12.057 -5.808 1.00 0.00 C ATOM 1178 NH1 ARG A 78 6.649 -12.458 -4.575 1.00 0.00 N1+ ATOM 1179 NH2 ARG A 78 6.888 -12.921 -6.812 1.00 0.00 N ATOM 0 H ARG A 78 8.321 -5.704 -2.781 1.00 0.00 H new ATOM 0 HA ARG A 78 8.156 -5.816 -5.619 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.543 -7.656 -3.891 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.830 -7.563 -3.533 1.00 0.00 H new ATOM 0 HG2 ARG A 78 6.268 -8.225 -5.814 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.956 -8.182 -6.282 1.00 0.00 H new ATOM 0 HD2 ARG A 78 8.445 -9.921 -4.534 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.732 -10.002 -4.174 1.00 0.00 H new ATOM 0 HE ARG A 78 7.411 -10.487 -6.997 1.00 0.00 H new ATOM 0 HH11 ARG A 78 6.674 -11.792 -3.802 1.00 0.00 H new ATOM 0 HH12 ARG A 78 6.397 -13.431 -4.402 1.00 0.00 H new ATOM 0 HH21 ARG A 78 7.096 -12.614 -7.762 1.00 0.00 H new ATOM 0 HH22 ARG A 78 6.635 -13.893 -6.634 1.00 0.00 H new ATOM 1193 N ALA A 79 5.440 -5.050 -3.950 1.00 0.00 N ATOM 1194 CA ALA A 79 4.112 -4.486 -4.119 1.00 0.00 C ATOM 1195 C ALA A 79 4.198 -3.091 -4.715 1.00 0.00 C ATOM 1196 O ALA A 79 3.351 -2.693 -5.504 1.00 0.00 O ATOM 1197 CB ALA A 79 3.350 -4.456 -2.801 1.00 0.00 C ATOM 0 H ALA A 79 5.756 -5.114 -2.982 1.00 0.00 H new ATOM 0 HA ALA A 79 3.563 -5.128 -4.808 1.00 0.00 H new ATOM 0 HB1 ALA A 79 2.360 -4.028 -2.962 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.248 -5.471 -2.416 1.00 0.00 H new ATOM 0 HB3 ALA A 79 3.895 -3.847 -2.079 1.00 0.00 H new ATOM 1203 N ILE A 80 5.227 -2.349 -4.346 1.00 0.00 N ATOM 1204 CA ILE A 80 5.385 -0.992 -4.848 1.00 0.00 C ATOM 1205 C ILE A 80 5.744 -0.951 -6.326 1.00 0.00 C ATOM 1206 O ILE A 80 5.390 -0.014 -7.033 1.00 0.00 O ATOM 1207 CB ILE A 80 6.441 -0.224 -4.070 1.00 0.00 C ATOM 1208 CG1 ILE A 80 6.148 -0.301 -2.578 1.00 0.00 C ATOM 1209 CG2 ILE A 80 6.459 1.218 -4.535 1.00 0.00 C ATOM 1210 CD1 ILE A 80 7.223 0.305 -1.722 1.00 0.00 C ATOM 0 H ILE A 80 5.960 -2.657 -3.707 1.00 0.00 H new ATOM 0 HA ILE A 80 4.413 -0.519 -4.712 1.00 0.00 H new ATOM 0 HB ILE A 80 7.420 -0.667 -4.250 1.00 0.00 H new ATOM 0 HG12 ILE A 80 5.205 0.206 -2.375 1.00 0.00 H new ATOM 0 HG13 ILE A 80 6.016 -1.345 -2.296 1.00 0.00 H new ATOM 0 HG21 ILE A 80 7.216 1.770 -3.978 1.00 0.00 H new ATOM 0 HG22 ILE A 80 6.693 1.254 -5.599 1.00 0.00 H new ATOM 0 HG23 ILE A 80 5.481 1.668 -4.363 1.00 0.00 H new ATOM 0 HD11 ILE A 80 6.946 0.214 -0.672 1.00 0.00 H new ATOM 0 HD12 ILE A 80 8.164 -0.217 -1.896 1.00 0.00 H new ATOM 0 HD13 ILE A 80 7.340 1.358 -1.976 1.00 0.00 H new ATOM 1222 N ASN A 81 6.462 -1.932 -6.806 1.00 0.00 N ATOM 1223 CA ASN A 81 6.815 -1.928 -8.207 1.00 0.00 C ATOM 1224 C ASN A 81 5.758 -2.631 -9.042 1.00 0.00 C ATOM 1225 O ASN A 81 5.508 -2.262 -10.188 1.00 0.00 O ATOM 1226 CB ASN A 81 8.205 -2.522 -8.423 1.00 0.00 C ATOM 1227 CG ASN A 81 8.411 -3.906 -7.833 1.00 0.00 C ATOM 1228 OD1 ASN A 81 7.566 -4.789 -7.943 1.00 0.00 O ATOM 1229 ND2 ASN A 81 9.550 -4.091 -7.184 1.00 0.00 N ATOM 0 H ASN A 81 6.808 -2.726 -6.267 1.00 0.00 H new ATOM 0 HA ASN A 81 6.851 -0.892 -8.545 1.00 0.00 H new ATOM 0 HB2 ASN A 81 8.402 -2.567 -9.494 1.00 0.00 H new ATOM 0 HB3 ASN A 81 8.943 -1.846 -7.992 1.00 0.00 H new ATOM 0 HD21 ASN A 81 9.751 -4.993 -6.753 1.00 0.00 H new ATOM 0 HD22 ASN A 81 10.227 -3.331 -7.115 1.00 0.00 H new ATOM 1236 N THR A 82 5.119 -3.620 -8.451 1.00 0.00 N ATOM 1237 CA THR A 82 4.119 -4.400 -9.144 1.00 0.00 C ATOM 1238 C THR A 82 2.706 -3.825 -8.969 1.00 0.00 C ATOM 1239 O THR A 82 2.036 -3.483 -9.945 1.00 0.00 O ATOM 1240 CB THR A 82 4.168 -5.857 -8.655 1.00 0.00 C ATOM 1241 OG1 THR A 82 5.334 -6.503 -9.181 1.00 0.00 O ATOM 1242 CG2 THR A 82 2.911 -6.635 -9.027 1.00 0.00 C ATOM 0 H THR A 82 5.278 -3.903 -7.484 1.00 0.00 H new ATOM 0 HA THR A 82 4.348 -4.361 -10.209 1.00 0.00 H new ATOM 0 HB THR A 82 4.218 -5.841 -7.566 1.00 0.00 H new ATOM 0 HG1 THR A 82 6.137 -6.053 -8.844 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.994 -7.658 -8.660 1.00 0.00 H new ATOM 0 HG22 THR A 82 2.041 -6.157 -8.577 1.00 0.00 H new ATOM 0 HG23 THR A 82 2.798 -6.647 -10.111 1.00 0.00 H new ATOM 1250 N LEU A 83 2.272 -3.702 -7.722 1.00 0.00 N ATOM 1251 CA LEU A 83 0.889 -3.351 -7.407 1.00 0.00 C ATOM 1252 C LEU A 83 0.631 -1.853 -7.454 1.00 0.00 C ATOM 1253 O LEU A 83 -0.503 -1.423 -7.628 1.00 0.00 O ATOM 1254 CB LEU A 83 0.521 -3.868 -6.028 1.00 0.00 C ATOM 1255 CG LEU A 83 0.414 -5.389 -5.904 1.00 0.00 C ATOM 1256 CD1 LEU A 83 -0.094 -5.765 -4.527 1.00 0.00 C ATOM 1257 CD2 LEU A 83 -0.489 -5.975 -6.975 1.00 0.00 C ATOM 0 H LEU A 83 2.863 -3.841 -6.902 1.00 0.00 H new ATOM 0 HA LEU A 83 0.271 -3.819 -8.173 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.266 -3.514 -5.315 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.433 -3.429 -5.737 1.00 0.00 H new ATOM 0 HG LEU A 83 1.411 -5.806 -6.046 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.166 -6.850 -4.450 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.596 -5.392 -3.770 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.078 -5.324 -4.369 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.541 -7.057 -6.855 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -1.489 -5.551 -6.880 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.087 -5.738 -7.960 1.00 0.00 H new ATOM 1269 N ASN A 84 1.664 -1.061 -7.252 1.00 0.00 N ATOM 1270 CA ASN A 84 1.515 0.381 -7.304 1.00 0.00 C ATOM 1271 C ASN A 84 1.151 0.827 -8.722 1.00 0.00 C ATOM 1272 O ASN A 84 1.963 0.742 -9.646 1.00 0.00 O ATOM 1273 CB ASN A 84 2.805 1.015 -6.802 1.00 0.00 C ATOM 1274 CG ASN A 84 2.826 2.520 -6.848 1.00 0.00 C ATOM 1275 OD1 ASN A 84 1.791 3.175 -6.825 1.00 0.00 O ATOM 1276 ND2 ASN A 84 4.026 3.074 -6.874 1.00 0.00 N ATOM 0 H ASN A 84 2.610 -1.387 -7.052 1.00 0.00 H new ATOM 0 HA ASN A 84 0.698 0.709 -6.661 1.00 0.00 H new ATOM 0 HB2 ASN A 84 2.976 0.694 -5.774 1.00 0.00 H new ATOM 0 HB3 ASN A 84 3.636 0.635 -7.397 1.00 0.00 H new ATOM 0 HD21 ASN A 84 4.119 4.090 -6.875 1.00 0.00 H new ATOM 0 HD22 ASN A 84 4.859 2.486 -6.893 1.00 0.00 H new ATOM 1283 N GLY A 85 -0.093 1.283 -8.870 1.00 0.00 N ATOM 1284 CA GLY A 85 -0.654 1.574 -10.177 1.00 0.00 C ATOM 1285 C GLY A 85 -1.500 0.421 -10.692 1.00 0.00 C ATOM 1286 O GLY A 85 -1.641 0.227 -11.902 1.00 0.00 O ATOM 0 H GLY A 85 -0.729 1.458 -8.092 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.263 2.476 -10.119 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.152 1.778 -10.882 1.00 0.00 H new ATOM 1290 N LEU A 86 -2.064 -0.348 -9.765 1.00 0.00 N ATOM 1291 CA LEU A 86 -2.885 -1.501 -10.114 1.00 0.00 C ATOM 1292 C LEU A 86 -4.326 -1.073 -10.321 1.00 0.00 C ATOM 1293 O LEU A 86 -4.791 -0.116 -9.703 1.00 0.00 O ATOM 1294 CB LEU A 86 -2.827 -2.555 -9.003 1.00 0.00 C ATOM 1295 CG LEU A 86 -2.521 -3.992 -9.442 1.00 0.00 C ATOM 1296 CD1 LEU A 86 -3.627 -4.546 -10.322 1.00 0.00 C ATOM 1297 CD2 LEU A 86 -1.185 -4.050 -10.164 1.00 0.00 C ATOM 0 H LEU A 86 -1.966 -0.191 -8.762 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.496 -1.931 -11.037 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -2.069 -2.250 -8.281 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.784 -2.554 -8.481 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.464 -4.613 -8.548 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.381 -5.566 -10.617 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.567 -4.545 -9.770 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.729 -3.926 -11.212 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -0.981 -5.076 -10.470 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.219 -3.409 -11.045 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.395 -3.707 -9.496 1.00 0.00 H new ATOM 1309 N ARG A 87 -5.024 -1.780 -11.193 1.00 0.00 N ATOM 1310 CA ARG A 87 -6.432 -1.526 -11.419 1.00 0.00 C ATOM 1311 C ARG A 87 -7.283 -2.346 -10.461 1.00 0.00 C ATOM 1312 O ARG A 87 -7.666 -3.478 -10.752 1.00 0.00 O ATOM 1313 CB ARG A 87 -6.807 -1.834 -12.866 1.00 0.00 C ATOM 1314 CG ARG A 87 -6.218 -0.845 -13.853 1.00 0.00 C ATOM 1315 CD ARG A 87 -6.839 0.533 -13.695 1.00 0.00 C ATOM 1316 NE ARG A 87 -6.222 1.515 -14.584 1.00 0.00 N ATOM 1317 CZ ARG A 87 -6.807 2.653 -14.958 1.00 0.00 C ATOM 1318 NH1 ARG A 87 -8.044 2.939 -14.558 1.00 0.00 N1+ ATOM 1319 NH2 ARG A 87 -6.160 3.501 -15.746 1.00 0.00 N ATOM 0 H ARG A 87 -4.635 -2.536 -11.756 1.00 0.00 H new ATOM 0 HA ARG A 87 -6.625 -0.470 -11.232 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.466 -2.838 -13.118 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -7.893 -1.833 -12.963 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -5.140 -0.779 -13.705 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -6.379 -1.204 -14.870 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -7.907 0.476 -13.903 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -6.733 0.862 -12.661 1.00 0.00 H new ATOM 0 HE ARG A 87 -5.287 1.318 -14.940 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -8.551 2.285 -13.961 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -8.485 3.812 -14.848 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -5.216 3.282 -16.065 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -6.606 4.372 -16.033 1.00 0.00 H new ATOM 1333 N LEU A 88 -7.553 -1.768 -9.308 1.00 0.00 N ATOM 1334 CA LEU A 88 -8.448 -2.362 -8.343 1.00 0.00 C ATOM 1335 C LEU A 88 -9.853 -1.852 -8.571 1.00 0.00 C ATOM 1336 O LEU A 88 -10.161 -0.709 -8.240 1.00 0.00 O ATOM 1337 CB LEU A 88 -8.007 -2.033 -6.926 1.00 0.00 C ATOM 1338 CG LEU A 88 -7.272 -3.158 -6.211 1.00 0.00 C ATOM 1339 CD1 LEU A 88 -6.737 -2.679 -4.878 1.00 0.00 C ATOM 1340 CD2 LEU A 88 -8.211 -4.334 -6.009 1.00 0.00 C ATOM 0 H LEU A 88 -7.157 -0.874 -9.016 1.00 0.00 H new ATOM 0 HA LEU A 88 -8.426 -3.444 -8.470 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -7.360 -1.156 -6.956 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -8.885 -1.762 -6.340 1.00 0.00 H new ATOM 0 HG LEU A 88 -6.428 -3.475 -6.824 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.215 -3.496 -4.381 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.046 -1.852 -5.039 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -7.565 -2.344 -4.253 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -7.682 -5.138 -5.497 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -9.064 -4.020 -5.407 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -8.562 -4.690 -6.978 1.00 0.00 H new ATOM 1352 N GLN A 89 -10.690 -2.691 -9.157 1.00 0.00 N ATOM 1353 CA GLN A 89 -12.067 -2.320 -9.459 1.00 0.00 C ATOM 1354 C GLN A 89 -12.099 -1.083 -10.350 1.00 0.00 C ATOM 1355 O GLN A 89 -12.948 -0.207 -10.192 1.00 0.00 O ATOM 1356 CB GLN A 89 -12.833 -2.061 -8.173 1.00 0.00 C ATOM 1357 CG GLN A 89 -12.830 -3.246 -7.223 1.00 0.00 C ATOM 1358 CD GLN A 89 -13.618 -2.998 -5.952 1.00 0.00 C ATOM 1359 OE1 GLN A 89 -13.653 -1.753 -5.508 1.00 0.00 O flip ATOM 1360 NE2 GLN A 89 -14.179 -3.923 -5.366 1.00 0.00 N flip ATOM 0 H GLN A 89 -10.440 -3.640 -9.436 1.00 0.00 H new ATOM 0 HA GLN A 89 -12.542 -3.144 -9.991 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -12.400 -1.198 -7.668 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -13.863 -1.803 -8.418 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -13.244 -4.114 -7.735 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -11.800 -3.491 -6.962 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -14.128 -4.870 -5.741 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -14.695 -3.743 -4.505 1.00 0.00 H new ATOM 1369 N SER A 90 -11.114 -1.024 -11.246 1.00 0.00 N ATOM 1370 CA SER A 90 -10.966 0.045 -12.242 1.00 0.00 C ATOM 1371 C SER A 90 -10.255 1.260 -11.647 1.00 0.00 C ATOM 1372 O SER A 90 -9.885 2.195 -12.359 1.00 0.00 O ATOM 1373 CB SER A 90 -12.324 0.442 -12.824 1.00 0.00 C ATOM 1374 OG SER A 90 -12.189 1.134 -14.055 1.00 0.00 O ATOM 0 H SER A 90 -10.380 -1.730 -11.304 1.00 0.00 H new ATOM 0 HA SER A 90 -10.348 -0.341 -13.053 1.00 0.00 H new ATOM 0 HB2 SER A 90 -12.930 -0.451 -12.974 1.00 0.00 H new ATOM 0 HB3 SER A 90 -12.855 1.071 -12.110 1.00 0.00 H new ATOM 0 HG SER A 90 -11.409 1.726 -14.014 1.00 0.00 H new ATOM 1380 N LYS A 91 -10.029 1.214 -10.349 1.00 0.00 N ATOM 1381 CA LYS A 91 -9.344 2.290 -9.644 1.00 0.00 C ATOM 1382 C LYS A 91 -7.862 2.023 -9.605 1.00 0.00 C ATOM 1383 O LYS A 91 -7.425 0.899 -9.385 1.00 0.00 O ATOM 1384 CB LYS A 91 -9.896 2.418 -8.225 1.00 0.00 C ATOM 1385 CG LYS A 91 -9.211 3.404 -7.314 1.00 0.00 C ATOM 1386 CD LYS A 91 -9.220 4.783 -7.906 1.00 0.00 C ATOM 1387 CE LYS A 91 -8.935 5.816 -6.844 1.00 0.00 C ATOM 1388 NZ LYS A 91 -8.898 7.198 -7.388 1.00 0.00 N1+ ATOM 0 H LYS A 91 -10.311 0.436 -9.752 1.00 0.00 H new ATOM 0 HA LYS A 91 -9.516 3.227 -10.174 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -10.948 2.694 -8.294 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.854 1.436 -7.755 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -9.711 3.417 -6.346 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -8.183 3.087 -7.137 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -8.473 4.850 -8.697 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -10.189 4.982 -8.365 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -9.699 5.755 -6.068 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -7.980 5.590 -6.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -8.699 7.869 -6.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -8.152 7.267 -8.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -9.817 7.427 -7.817 1.00 0.00 H new ATOM 1402 N THR A 92 -7.094 3.060 -9.824 1.00 0.00 N ATOM 1403 CA THR A 92 -5.649 2.922 -9.813 1.00 0.00 C ATOM 1404 C THR A 92 -5.093 3.372 -8.477 1.00 0.00 C ATOM 1405 O THR A 92 -5.211 4.537 -8.095 1.00 0.00 O ATOM 1406 CB THR A 92 -4.952 3.697 -10.936 1.00 0.00 C ATOM 1407 OG1 THR A 92 -5.889 4.004 -11.978 1.00 0.00 O ATOM 1408 CG2 THR A 92 -3.804 2.876 -11.512 1.00 0.00 C ATOM 0 H THR A 92 -7.435 4.003 -10.011 1.00 0.00 H new ATOM 0 HA THR A 92 -5.444 1.864 -9.979 1.00 0.00 H new ATOM 0 HB THR A 92 -4.556 4.624 -10.522 1.00 0.00 H new ATOM 0 HG1 THR A 92 -5.435 4.501 -12.690 1.00 0.00 H new ATOM 0 HG21 THR A 92 -3.318 3.439 -12.309 1.00 0.00 H new ATOM 0 HG22 THR A 92 -3.080 2.661 -10.726 1.00 0.00 H new ATOM 0 HG23 THR A 92 -4.192 1.940 -11.914 1.00 0.00 H new ATOM 1416 N ILE A 93 -4.498 2.430 -7.787 1.00 0.00 N ATOM 1417 CA ILE A 93 -4.028 2.623 -6.432 1.00 0.00 C ATOM 1418 C ILE A 93 -2.544 2.965 -6.416 1.00 0.00 C ATOM 1419 O ILE A 93 -1.854 2.777 -7.415 1.00 0.00 O ATOM 1420 CB ILE A 93 -4.265 1.340 -5.640 1.00 0.00 C ATOM 1421 CG1 ILE A 93 -3.405 0.226 -6.242 1.00 0.00 C ATOM 1422 CG2 ILE A 93 -5.756 0.986 -5.700 1.00 0.00 C ATOM 1423 CD1 ILE A 93 -3.457 -1.074 -5.491 1.00 0.00 C ATOM 0 H ILE A 93 -4.323 1.494 -8.153 1.00 0.00 H new ATOM 0 HA ILE A 93 -4.575 3.452 -5.982 1.00 0.00 H new ATOM 0 HB ILE A 93 -3.985 1.470 -4.595 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -3.726 0.051 -7.269 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -2.370 0.566 -6.285 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -5.935 0.070 -5.137 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -6.340 1.798 -5.268 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -6.053 0.838 -6.738 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -2.819 -1.806 -5.986 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.107 -0.919 -4.471 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -4.483 -1.441 -5.470 1.00 0.00 H new ATOM 1435 N LYS A 94 -2.051 3.460 -5.292 1.00 0.00 N ATOM 1436 CA LYS A 94 -0.647 3.819 -5.188 1.00 0.00 C ATOM 1437 C LYS A 94 -0.080 3.343 -3.864 1.00 0.00 C ATOM 1438 O LYS A 94 -0.406 3.881 -2.807 1.00 0.00 O ATOM 1439 CB LYS A 94 -0.461 5.328 -5.330 1.00 0.00 C ATOM 1440 CG LYS A 94 0.985 5.758 -5.466 1.00 0.00 C ATOM 1441 CD LYS A 94 1.100 7.271 -5.609 1.00 0.00 C ATOM 1442 CE LYS A 94 0.364 7.790 -6.842 1.00 0.00 C ATOM 1443 NZ LYS A 94 0.322 9.280 -6.885 1.00 0.00 N1+ ATOM 0 H LYS A 94 -2.597 3.621 -4.446 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.108 3.330 -5.999 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.016 5.672 -6.203 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.896 5.821 -4.461 1.00 0.00 H new ATOM 0 HG2 LYS A 94 1.548 5.429 -4.593 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.431 5.273 -6.334 1.00 0.00 H new ATOM 0 HD2 LYS A 94 0.696 7.751 -4.718 1.00 0.00 H new ATOM 0 HD3 LYS A 94 2.152 7.550 -5.671 1.00 0.00 H new ATOM 0 HE2 LYS A 94 0.854 7.416 -7.741 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -0.653 7.399 -6.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 0.387 9.601 -7.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -0.571 9.614 -6.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 1.121 9.666 -6.342 1.00 0.00 H new ATOM 1457 N VAL A 95 0.766 2.332 -3.932 1.00 0.00 N ATOM 1458 CA VAL A 95 1.331 1.736 -2.739 1.00 0.00 C ATOM 1459 C VAL A 95 2.746 2.261 -2.493 1.00 0.00 C ATOM 1460 O VAL A 95 3.496 2.540 -3.434 1.00 0.00 O ATOM 1461 CB VAL A 95 1.303 0.188 -2.803 1.00 0.00 C ATOM 1462 CG1 VAL A 95 0.523 -0.295 -4.016 1.00 0.00 C ATOM 1463 CG2 VAL A 95 2.695 -0.400 -2.773 1.00 0.00 C ATOM 0 H VAL A 95 1.077 1.906 -4.805 1.00 0.00 H new ATOM 0 HA VAL A 95 0.710 2.029 -1.893 1.00 0.00 H new ATOM 0 HB VAL A 95 0.787 -0.166 -1.911 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.520 -1.385 -4.036 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -0.502 0.070 -3.958 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.992 0.083 -4.924 1.00 0.00 H new ATOM 0 HG21 VAL A 95 2.632 -1.487 -2.820 1.00 0.00 H new ATOM 0 HG22 VAL A 95 3.264 -0.033 -3.627 1.00 0.00 H new ATOM 0 HG23 VAL A 95 3.195 -0.105 -1.850 1.00 0.00 H new ATOM 1473 N SER A 96 3.084 2.422 -1.225 1.00 0.00 N ATOM 1474 CA SER A 96 4.367 2.954 -0.804 1.00 0.00 C ATOM 1475 C SER A 96 4.632 2.522 0.627 1.00 0.00 C ATOM 1476 O SER A 96 3.839 1.802 1.206 1.00 0.00 O ATOM 1477 CB SER A 96 4.359 4.483 -0.880 1.00 0.00 C ATOM 1478 OG SER A 96 4.123 4.926 -2.206 1.00 0.00 O ATOM 0 H SER A 96 2.466 2.183 -0.449 1.00 0.00 H new ATOM 0 HA SER A 96 5.148 2.574 -1.463 1.00 0.00 H new ATOM 0 HB2 SER A 96 3.589 4.879 -0.218 1.00 0.00 H new ATOM 0 HB3 SER A 96 5.314 4.873 -0.527 1.00 0.00 H new ATOM 0 HG SER A 96 4.027 4.151 -2.798 1.00 0.00 H new ATOM 1484 N TYR A 97 5.732 2.968 1.190 1.00 0.00 N ATOM 1485 CA TYR A 97 6.036 2.715 2.589 1.00 0.00 C ATOM 1486 C TYR A 97 5.249 3.649 3.478 1.00 0.00 C ATOM 1487 O TYR A 97 5.401 4.870 3.397 1.00 0.00 O ATOM 1488 CB TYR A 97 7.507 2.916 2.838 1.00 0.00 C ATOM 1489 CG TYR A 97 8.337 1.781 2.330 1.00 0.00 C ATOM 1490 CD1 TYR A 97 8.960 1.833 1.099 1.00 0.00 C ATOM 1491 CD2 TYR A 97 8.505 0.664 3.107 1.00 0.00 C ATOM 1492 CE1 TYR A 97 9.740 0.789 0.654 1.00 0.00 C ATOM 1493 CE2 TYR A 97 9.279 -0.392 2.683 1.00 0.00 C ATOM 1494 CZ TYR A 97 9.900 -0.330 1.453 1.00 0.00 C ATOM 1495 OH TYR A 97 10.680 -1.380 1.024 1.00 0.00 O ATOM 0 H TYR A 97 6.440 3.513 0.699 1.00 0.00 H new ATOM 0 HA TYR A 97 5.761 1.686 2.821 1.00 0.00 H new ATOM 0 HB2 TYR A 97 7.830 3.840 2.359 1.00 0.00 H new ATOM 0 HB3 TYR A 97 7.678 3.035 3.908 1.00 0.00 H new ATOM 0 HD1 TYR A 97 8.834 2.706 0.476 1.00 0.00 H new ATOM 0 HD2 TYR A 97 8.020 0.612 4.071 1.00 0.00 H new ATOM 0 HE1 TYR A 97 10.223 0.843 -0.311 1.00 0.00 H new ATOM 0 HE2 TYR A 97 9.399 -1.264 3.309 1.00 0.00 H new ATOM 0 HH TYR A 97 10.686 -2.083 1.706 1.00 0.00 H new ATOM 1505 N ALA A 98 4.407 3.085 4.313 1.00 0.00 N ATOM 1506 CA ALA A 98 3.683 3.885 5.267 1.00 0.00 C ATOM 1507 C ALA A 98 4.615 4.219 6.418 1.00 0.00 C ATOM 1508 O ALA A 98 4.931 3.348 7.222 1.00 0.00 O ATOM 1509 CB ALA A 98 2.444 3.158 5.767 1.00 0.00 C ATOM 0 H ALA A 98 4.209 2.085 4.350 1.00 0.00 H new ATOM 0 HA ALA A 98 3.342 4.803 4.788 1.00 0.00 H new ATOM 0 HB1 ALA A 98 1.918 3.787 6.486 1.00 0.00 H new ATOM 0 HB2 ALA A 98 1.786 2.940 4.926 1.00 0.00 H new ATOM 0 HB3 ALA A 98 2.739 2.225 6.248 1.00 0.00 H new ATOM 1515 N ARG A 99 5.075 5.465 6.461 1.00 0.00 N ATOM 1516 CA ARG A 99 6.090 5.889 7.426 1.00 0.00 C ATOM 1517 C ARG A 99 5.721 5.488 8.854 1.00 0.00 C ATOM 1518 O ARG A 99 4.772 6.021 9.434 1.00 0.00 O ATOM 1519 CB ARG A 99 6.332 7.403 7.345 1.00 0.00 C ATOM 1520 CG ARG A 99 5.067 8.252 7.323 1.00 0.00 C ATOM 1521 CD ARG A 99 4.705 8.679 5.908 1.00 0.00 C ATOM 1522 NE ARG A 99 5.737 9.537 5.323 1.00 0.00 N ATOM 1523 CZ ARG A 99 5.939 9.686 4.014 1.00 0.00 C ATOM 1524 NH1 ARG A 99 5.183 9.036 3.137 1.00 0.00 N1+ ATOM 1525 NH2 ARG A 99 6.901 10.491 3.585 1.00 0.00 N ATOM 0 H ARG A 99 4.760 6.206 5.835 1.00 0.00 H new ATOM 0 HA ARG A 99 7.013 5.374 7.162 1.00 0.00 H new ATOM 0 HB2 ARG A 99 6.941 7.705 8.197 1.00 0.00 H new ATOM 0 HB3 ARG A 99 6.912 7.617 6.447 1.00 0.00 H new ATOM 0 HG2 ARG A 99 4.241 7.687 7.756 1.00 0.00 H new ATOM 0 HG3 ARG A 99 5.210 9.135 7.945 1.00 0.00 H new ATOM 0 HD2 ARG A 99 4.569 7.795 5.284 1.00 0.00 H new ATOM 0 HD3 ARG A 99 3.753 9.210 5.920 1.00 0.00 H new ATOM 0 HE ARG A 99 6.342 10.055 5.960 1.00 0.00 H new ATOM 0 HH11 ARG A 99 4.441 8.417 3.463 1.00 0.00 H new ATOM 0 HH12 ARG A 99 5.344 9.156 2.137 1.00 0.00 H new ATOM 0 HH21 ARG A 99 7.483 10.993 4.256 1.00 0.00 H new ATOM 0 HH22 ARG A 99 7.059 10.608 2.584 1.00 0.00 H new ATOM 1539 N PRO A 100 6.460 4.513 9.422 1.00 0.00 N ATOM 1540 CA PRO A 100 6.236 4.026 10.788 1.00 0.00 C ATOM 1541 C PRO A 100 6.192 5.155 11.816 1.00 0.00 C ATOM 1542 O PRO A 100 7.001 6.081 11.762 1.00 0.00 O ATOM 1543 CB PRO A 100 7.444 3.122 11.039 1.00 0.00 C ATOM 1544 CG PRO A 100 7.840 2.641 9.689 1.00 0.00 C ATOM 1545 CD PRO A 100 7.562 3.781 8.755 1.00 0.00 C ATOM 0 HA PRO A 100 5.275 3.521 10.887 1.00 0.00 H new ATOM 0 HB2 PRO A 100 8.256 3.669 11.519 1.00 0.00 H new ATOM 0 HB3 PRO A 100 7.188 2.291 11.696 1.00 0.00 H new ATOM 0 HG2 PRO A 100 8.894 2.364 9.666 1.00 0.00 H new ATOM 0 HG3 PRO A 100 7.271 1.755 9.406 1.00 0.00 H new ATOM 0 HD2 PRO A 100 8.440 4.413 8.620 1.00 0.00 H new ATOM 0 HD3 PRO A 100 7.269 3.428 7.766 1.00 0.00 H new ATOM 1553 N SER A 101 5.244 5.054 12.748 1.00 0.00 N ATOM 1554 CA SER A 101 5.043 6.059 13.781 1.00 0.00 C ATOM 1555 C SER A 101 4.670 7.406 13.154 1.00 0.00 C ATOM 1556 O SER A 101 5.541 8.297 13.057 1.00 0.00 O ATOM 1557 CB SER A 101 6.300 6.166 14.646 1.00 0.00 C ATOM 1558 OG SER A 101 6.141 7.082 15.719 1.00 0.00 O ATOM 1559 OXT SER A 101 3.501 7.558 12.735 1.00 0.00 O1- ATOM 0 H SER A 101 4.595 4.269 12.804 1.00 0.00 H new ATOM 0 HA SER A 101 4.214 5.760 14.422 1.00 0.00 H new ATOM 0 HB2 SER A 101 6.548 5.182 15.045 1.00 0.00 H new ATOM 0 HB3 SER A 101 7.139 6.479 14.025 1.00 0.00 H new ATOM 0 HG SER A 101 6.967 7.117 16.245 1.00 0.00 H new TER 1565 SER A 101