USER MOD reduce.3.24.130724 H: found=0, std=0, add=946, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 938 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 57 THR OG1 : rot -110:sc= 0.543 USER MOD Set 1.2: A 94 THR OG1 : rot 65:sc= 0.432 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0.0298 USER MOD Single : A 8 HIS : no HE2:sc= 0.754 K(o=0.75,f=-2.3!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl -175:sc= 0 (180deg=-0.0293) USER MOD Single : A 20 ASN : amide:sc= 0.0883 X(o=0.088,f=-0.37) USER MOD Single : A 24 ASN : amide:sc= -0.0123 X(o=-0.012,f=-0.012) USER MOD Single : A 27 ASN :FLIP amide:sc= -0.291 F(o=-1.1,f=-0.29) USER MOD Single : A 28 SER OG : rot 180:sc= 0.0941 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= -0.736 K(o=-0.74,f=-1.7) USER MOD Single : A 41 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0497) USER MOD Single : A 42 SER OG : rot 110:sc= -0.168 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 48 GLN : amide:sc= -0.0759 X(o=-0.076,f=-0.22) USER MOD Single : A 50 TYR OH : rot 180:sc= -0.0717 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -179:sc= 1.05 (180deg=1.01) USER MOD Single : A 58 GLN : amide:sc=-0.00498 K(o=-0.005,f=-1.9!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= 0.0545 K(o=0.054,f=-2.7!) USER MOD Single : A 67 HIS : no HD1:sc= -0.38 X(o=-0.38,f=-0.0057) USER MOD Single : A 70 LYS NZ :NH3+ -150:sc= 0.705 (180deg=0.241) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -174:sc= 0.652 (180deg=0.518) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 HIS : no HE2:sc= 0.552 K(o=0.55,f=-3.5!) USER MOD Single : A 83 MET CE :methyl -125:sc= -4.94! (180deg=-7.39!) USER MOD Single : A 91 SER OG : rot 71:sc= 0.709 USER MOD Single : A 92 HIS : no HD1:sc= -0.195 X(o=-0.19,f=-0.057) USER MOD Single : A 93 TYR OH : rot 170:sc= 1.54 USER MOD Single : A 96 ASN : amide:sc= -0.146 X(o=-0.15,f=-0.066) USER MOD Single : A 101 ASN : amide:sc= 2 K(o=2,f=-11!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot -141:sc= 0.415 USER MOD Single : A 115 ASN : amide:sc= -0.0136 X(o=-0.014,f=-0.27) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0.694 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot -67:sc= 0.589 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.467 -24.585 -0.350 1.00 0.00 N ATOM 2 CA GLY A 1 -15.491 -24.126 -1.344 1.00 0.00 C ATOM 3 C GLY A 1 -15.737 -22.688 -1.744 1.00 0.00 C ATOM 4 O GLY A 1 -16.859 -22.356 -2.134 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.268 -25.574 -0.099 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.400 -23.992 0.502 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.426 -24.515 -0.747 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.484 -24.224 -0.938 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.543 -24.764 -2.227 1.00 0.00 H new ATOM 8 N SER A 2 -14.716 -21.836 -1.630 1.00 0.00 N ATOM 9 CA SER A 2 -14.722 -20.438 -2.065 1.00 0.00 C ATOM 10 C SER A 2 -13.296 -19.860 -2.008 1.00 0.00 C ATOM 11 O SER A 2 -13.062 -18.809 -1.411 1.00 0.00 O ATOM 12 CB SER A 2 -15.716 -19.608 -1.237 1.00 0.00 C ATOM 13 OG SER A 2 -15.582 -19.855 0.152 1.00 0.00 O ATOM 0 H SER A 2 -13.826 -22.113 -1.215 1.00 0.00 H new ATOM 0 HA SER A 2 -15.058 -20.391 -3.101 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.557 -18.548 -1.434 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.733 -19.841 -1.551 1.00 0.00 H new ATOM 0 HG SER A 2 -16.229 -19.308 0.645 1.00 0.00 H new ATOM 19 N SER A 3 -12.312 -20.598 -2.528 1.00 0.00 N ATOM 20 CA SER A 3 -10.902 -20.233 -2.447 1.00 0.00 C ATOM 21 C SER A 3 -10.175 -20.613 -3.737 1.00 0.00 C ATOM 22 O SER A 3 -10.732 -21.335 -4.576 1.00 0.00 O ATOM 23 CB SER A 3 -10.287 -20.881 -1.195 1.00 0.00 C ATOM 24 OG SER A 3 -10.907 -20.361 -0.029 1.00 0.00 O ATOM 0 H SER A 3 -12.477 -21.475 -3.022 1.00 0.00 H new ATOM 0 HA SER A 3 -10.795 -19.153 -2.347 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.415 -21.963 -1.234 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.215 -20.688 -1.164 1.00 0.00 H new ATOM 0 HG SER A 3 -10.513 -20.778 0.765 1.00 0.00 H new ATOM 30 N GLY A 4 -8.936 -20.137 -3.872 1.00 0.00 N ATOM 31 CA GLY A 4 -8.098 -20.295 -5.045 1.00 0.00 C ATOM 32 C GLY A 4 -6.725 -19.660 -4.827 1.00 0.00 C ATOM 33 O GLY A 4 -6.323 -18.791 -5.601 1.00 0.00 O ATOM 0 H GLY A 4 -8.476 -19.609 -3.130 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.981 -21.355 -5.272 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.582 -19.836 -5.907 1.00 0.00 H new ATOM 37 N SER A 5 -6.007 -20.058 -3.773 1.00 0.00 N ATOM 38 CA SER A 5 -4.599 -19.714 -3.561 1.00 0.00 C ATOM 39 C SER A 5 -3.766 -20.980 -3.752 1.00 0.00 C ATOM 40 O SER A 5 -4.280 -22.077 -3.519 1.00 0.00 O ATOM 41 CB SER A 5 -4.406 -19.130 -2.153 1.00 0.00 C ATOM 42 OG SER A 5 -5.255 -18.013 -1.955 1.00 0.00 O ATOM 0 H SER A 5 -6.395 -20.639 -3.030 1.00 0.00 H new ATOM 0 HA SER A 5 -4.278 -18.957 -4.277 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.620 -19.893 -1.405 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.366 -18.832 -2.016 1.00 0.00 H new ATOM 0 HG SER A 5 -5.120 -17.655 -1.053 1.00 0.00 H new ATOM 48 N SER A 6 -2.508 -20.860 -4.175 1.00 0.00 N ATOM 49 CA SER A 6 -1.627 -22.013 -4.308 1.00 0.00 C ATOM 50 C SER A 6 -1.054 -22.344 -2.929 1.00 0.00 C ATOM 51 O SER A 6 -1.446 -23.336 -2.316 1.00 0.00 O ATOM 52 CB SER A 6 -0.578 -21.754 -5.400 1.00 0.00 C ATOM 53 OG SER A 6 0.153 -20.556 -5.196 1.00 0.00 O ATOM 0 H SER A 6 -2.078 -19.971 -4.432 1.00 0.00 H new ATOM 0 HA SER A 6 -2.166 -22.899 -4.644 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.116 -22.594 -5.436 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.075 -21.709 -6.369 1.00 0.00 H new ATOM 0 HG SER A 6 0.806 -20.444 -5.919 1.00 0.00 H new ATOM 59 N GLY A 7 -0.184 -21.471 -2.420 1.00 0.00 N ATOM 60 CA GLY A 7 0.525 -21.654 -1.166 1.00 0.00 C ATOM 61 C GLY A 7 1.724 -22.584 -1.338 1.00 0.00 C ATOM 62 O GLY A 7 1.947 -23.151 -2.414 1.00 0.00 O ATOM 0 H GLY A 7 0.049 -20.594 -2.887 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.862 -20.687 -0.792 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.153 -22.066 -0.419 1.00 0.00 H new ATOM 66 N HIS A 8 2.539 -22.698 -0.290 1.00 0.00 N ATOM 67 CA HIS A 8 3.807 -23.420 -0.307 1.00 0.00 C ATOM 68 C HIS A 8 4.146 -23.898 1.099 1.00 0.00 C ATOM 69 O HIS A 8 4.342 -25.090 1.316 1.00 0.00 O ATOM 70 CB HIS A 8 4.949 -22.497 -0.785 1.00 0.00 C ATOM 71 CG HIS A 8 5.394 -22.661 -2.212 1.00 0.00 C ATOM 72 ND1 HIS A 8 4.644 -23.059 -3.295 1.00 0.00 N ATOM 73 CD2 HIS A 8 6.665 -22.429 -2.652 1.00 0.00 C ATOM 74 CE1 HIS A 8 5.458 -23.071 -4.367 1.00 0.00 C ATOM 75 NE2 HIS A 8 6.697 -22.674 -4.025 1.00 0.00 N ATOM 0 H HIS A 8 2.329 -22.280 0.616 1.00 0.00 H new ATOM 0 HA HIS A 8 3.706 -24.266 -0.986 1.00 0.00 H new ATOM 0 HB2 HIS A 8 4.634 -21.463 -0.643 1.00 0.00 H new ATOM 0 HB3 HIS A 8 5.811 -22.659 -0.138 1.00 0.00 H new ATOM 0 HD1 HIS A 8 3.653 -23.301 -3.287 1.00 0.00 H new ATOM 0 HD2 HIS A 8 7.499 -22.112 -2.044 1.00 0.00 H new ATOM 0 HE1 HIS A 8 5.158 -23.359 -5.364 1.00 0.00 H new ATOM 83 N SER A 9 4.333 -22.943 2.010 1.00 0.00 N ATOM 84 CA SER A 9 5.003 -23.121 3.285 1.00 0.00 C ATOM 85 C SER A 9 4.638 -21.938 4.190 1.00 0.00 C ATOM 86 O SER A 9 3.882 -21.050 3.772 1.00 0.00 O ATOM 87 CB SER A 9 6.512 -23.166 3.003 1.00 0.00 C ATOM 88 OG SER A 9 7.209 -23.848 4.022 1.00 0.00 O ATOM 0 H SER A 9 4.006 -21.987 1.868 1.00 0.00 H new ATOM 0 HA SER A 9 4.702 -24.041 3.787 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.690 -23.658 2.047 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.897 -22.150 2.915 1.00 0.00 H new ATOM 0 HG SER A 9 8.166 -23.861 3.812 1.00 0.00 H new ATOM 94 N GLY A 10 5.196 -21.900 5.400 1.00 0.00 N ATOM 95 CA GLY A 10 5.047 -20.794 6.333 1.00 0.00 C ATOM 96 C GLY A 10 4.681 -21.345 7.697 1.00 0.00 C ATOM 97 O GLY A 10 3.518 -21.689 7.918 1.00 0.00 O ATOM 0 H GLY A 10 5.776 -22.656 5.763 1.00 0.00 H new ATOM 0 HA2 GLY A 10 5.975 -20.225 6.393 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.275 -20.109 5.984 1.00 0.00 H new ATOM 101 N GLU A 11 5.666 -21.490 8.583 1.00 0.00 N ATOM 102 CA GLU A 11 5.443 -21.744 9.998 1.00 0.00 C ATOM 103 C GLU A 11 4.723 -20.562 10.638 1.00 0.00 C ATOM 104 O GLU A 11 3.658 -20.744 11.224 1.00 0.00 O ATOM 105 CB GLU A 11 6.795 -21.997 10.681 1.00 0.00 C ATOM 106 CG GLU A 11 7.025 -23.492 10.883 1.00 0.00 C ATOM 107 CD GLU A 11 6.280 -23.973 12.128 1.00 0.00 C ATOM 108 OE1 GLU A 11 5.051 -24.196 12.027 1.00 0.00 O ATOM 109 OE2 GLU A 11 6.943 -24.061 13.184 1.00 0.00 O ATOM 0 H GLU A 11 6.653 -21.433 8.330 1.00 0.00 H new ATOM 0 HA GLU A 11 4.813 -22.625 10.119 1.00 0.00 H new ATOM 0 HB2 GLU A 11 7.598 -21.579 10.075 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.823 -21.486 11.643 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.680 -24.043 10.008 1.00 0.00 H new ATOM 0 HG3 GLU A 11 8.091 -23.693 10.987 1.00 0.00 H new ATOM 116 N ASP A 12 5.284 -19.354 10.524 1.00 0.00 N ATOM 117 CA ASP A 12 4.786 -18.181 11.234 1.00 0.00 C ATOM 118 C ASP A 12 4.661 -16.970 10.315 1.00 0.00 C ATOM 119 O ASP A 12 3.978 -16.023 10.687 1.00 0.00 O ATOM 120 CB ASP A 12 5.675 -17.883 12.455 1.00 0.00 C ATOM 121 CG ASP A 12 4.849 -17.767 13.736 1.00 0.00 C ATOM 122 OD1 ASP A 12 4.256 -18.789 14.151 1.00 0.00 O ATOM 123 OD2 ASP A 12 4.844 -16.702 14.385 1.00 0.00 O ATOM 0 H ASP A 12 6.096 -19.166 9.936 1.00 0.00 H new ATOM 0 HA ASP A 12 3.780 -18.402 11.590 1.00 0.00 H new ATOM 0 HB2 ASP A 12 6.415 -18.675 12.569 1.00 0.00 H new ATOM 0 HB3 ASP A 12 6.223 -16.956 12.289 1.00 0.00 H new ATOM 128 N LEU A 13 5.265 -16.982 9.117 1.00 0.00 N ATOM 129 CA LEU A 13 5.023 -15.991 8.069 1.00 0.00 C ATOM 130 C LEU A 13 3.611 -16.148 7.483 1.00 0.00 C ATOM 131 O LEU A 13 3.096 -17.269 7.446 1.00 0.00 O ATOM 132 CB LEU A 13 6.069 -16.154 6.949 1.00 0.00 C ATOM 133 CG LEU A 13 7.453 -15.613 7.344 1.00 0.00 C ATOM 134 CD1 LEU A 13 8.507 -16.038 6.330 1.00 0.00 C ATOM 135 CD2 LEU A 13 7.461 -14.091 7.444 1.00 0.00 C ATOM 0 H LEU A 13 5.945 -17.694 8.850 1.00 0.00 H new ATOM 0 HA LEU A 13 5.107 -14.997 8.508 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.157 -17.209 6.690 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.722 -15.635 6.056 1.00 0.00 H new ATOM 0 HG LEU A 13 7.685 -16.032 8.323 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.479 -15.645 6.629 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.553 -17.126 6.288 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.244 -15.648 5.347 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.457 -13.750 7.725 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.189 -13.662 6.480 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.742 -13.772 8.199 1.00 0.00 H new ATOM 147 N PRO A 14 2.985 -15.059 6.987 1.00 0.00 N ATOM 148 CA PRO A 14 1.629 -15.109 6.460 1.00 0.00 C ATOM 149 C PRO A 14 1.538 -15.942 5.178 1.00 0.00 C ATOM 150 O PRO A 14 2.494 -16.050 4.399 1.00 0.00 O ATOM 151 CB PRO A 14 1.224 -13.668 6.148 1.00 0.00 C ATOM 152 CG PRO A 14 2.315 -12.787 6.746 1.00 0.00 C ATOM 153 CD PRO A 14 3.521 -13.710 6.866 1.00 0.00 C ATOM 0 HA PRO A 14 0.973 -15.577 7.194 1.00 0.00 H new ATOM 0 HB2 PRO A 14 1.140 -13.510 5.073 1.00 0.00 H new ATOM 0 HB3 PRO A 14 0.252 -13.433 6.581 1.00 0.00 H new ATOM 0 HG2 PRO A 14 2.531 -11.932 6.106 1.00 0.00 H new ATOM 0 HG3 PRO A 14 2.019 -12.391 7.717 1.00 0.00 H new ATOM 0 HD2 PRO A 14 4.167 -13.624 5.992 1.00 0.00 H new ATOM 0 HD3 PRO A 14 4.125 -13.451 7.735 1.00 0.00 H new ATOM 161 N MET A 15 0.328 -16.426 4.901 1.00 0.00 N ATOM 162 CA MET A 15 0.082 -17.424 3.868 1.00 0.00 C ATOM 163 C MET A 15 -0.711 -16.910 2.667 1.00 0.00 C ATOM 164 O MET A 15 -0.554 -17.454 1.569 1.00 0.00 O ATOM 165 CB MET A 15 -0.655 -18.591 4.535 1.00 0.00 C ATOM 166 CG MET A 15 0.338 -19.381 5.403 1.00 0.00 C ATOM 167 SD MET A 15 0.008 -21.142 5.605 1.00 0.00 S ATOM 168 CE MET A 15 -1.663 -21.090 6.279 1.00 0.00 C ATOM 0 H MET A 15 -0.515 -16.132 5.394 1.00 0.00 H new ATOM 0 HA MET A 15 1.044 -17.725 3.453 1.00 0.00 H new ATOM 0 HB2 MET A 15 -1.475 -18.217 5.147 1.00 0.00 H new ATOM 0 HB3 MET A 15 -1.093 -19.241 3.778 1.00 0.00 H new ATOM 0 HG2 MET A 15 1.333 -19.268 4.972 1.00 0.00 H new ATOM 0 HG3 MET A 15 0.365 -18.924 6.392 1.00 0.00 H new ATOM 0 HE1 MET A 15 -1.980 -22.099 6.543 1.00 0.00 H new ATOM 0 HE2 MET A 15 -1.677 -20.460 7.169 1.00 0.00 H new ATOM 0 HE3 MET A 15 -2.344 -20.679 5.533 1.00 0.00 H new ATOM 178 N VAL A 16 -1.563 -15.904 2.859 1.00 0.00 N ATOM 179 CA VAL A 16 -2.487 -15.365 1.862 1.00 0.00 C ATOM 180 C VAL A 16 -2.571 -13.841 2.064 1.00 0.00 C ATOM 181 O VAL A 16 -1.949 -13.315 2.990 1.00 0.00 O ATOM 182 CB VAL A 16 -3.857 -16.079 1.952 1.00 0.00 C ATOM 183 CG1 VAL A 16 -3.757 -17.610 1.844 1.00 0.00 C ATOM 184 CG2 VAL A 16 -4.639 -15.675 3.200 1.00 0.00 C ATOM 0 H VAL A 16 -1.631 -15.420 3.755 1.00 0.00 H new ATOM 0 HA VAL A 16 -2.129 -15.551 0.849 1.00 0.00 H new ATOM 0 HB VAL A 16 -4.413 -15.737 1.079 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.754 -18.046 1.915 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -3.311 -17.879 0.887 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.136 -17.992 2.654 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -5.593 -16.202 3.218 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -4.064 -15.934 4.089 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.819 -14.600 3.185 1.00 0.00 H new ATOM 194 N ALA A 17 -3.301 -13.137 1.202 1.00 0.00 N ATOM 195 CA ALA A 17 -3.445 -11.689 1.147 1.00 0.00 C ATOM 196 C ALA A 17 -4.927 -11.332 1.336 1.00 0.00 C ATOM 197 O ALA A 17 -5.772 -12.233 1.283 1.00 0.00 O ATOM 198 CB ALA A 17 -2.930 -11.193 -0.209 1.00 0.00 C ATOM 0 H ALA A 17 -3.845 -13.599 0.473 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.866 -11.210 1.937 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.032 -10.109 -0.263 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.880 -11.464 -0.321 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -3.511 -11.652 -1.009 1.00 0.00 H new ATOM 204 N PRO A 18 -5.268 -10.056 1.575 1.00 0.00 N ATOM 205 CA PRO A 18 -6.652 -9.632 1.718 1.00 0.00 C ATOM 206 C PRO A 18 -7.414 -9.734 0.407 1.00 0.00 C ATOM 207 O PRO A 18 -7.110 -9.028 -0.556 1.00 0.00 O ATOM 208 CB PRO A 18 -6.611 -8.226 2.293 1.00 0.00 C ATOM 209 CG PRO A 18 -5.206 -7.715 2.045 1.00 0.00 C ATOM 210 CD PRO A 18 -4.350 -8.942 1.773 1.00 0.00 C ATOM 0 HA PRO A 18 -7.204 -10.287 2.392 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.350 -7.586 1.811 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -6.841 -8.233 3.358 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -5.185 -7.030 1.197 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -4.834 -7.165 2.909 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -3.727 -8.792 0.891 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -3.678 -9.138 2.608 1.00 0.00 H new ATOM 218 N GLY A 19 -8.393 -10.636 0.376 1.00 0.00 N ATOM 219 CA GLY A 19 -9.298 -10.782 -0.742 1.00 0.00 C ATOM 220 C GLY A 19 -10.018 -9.478 -1.031 1.00 0.00 C ATOM 221 O GLY A 19 -10.193 -8.647 -0.136 1.00 0.00 O ATOM 0 H GLY A 19 -8.575 -11.289 1.138 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -8.743 -11.099 -1.625 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -10.026 -11.564 -0.526 1.00 0.00 H new ATOM 225 N ASN A 20 -10.485 -9.356 -2.277 1.00 0.00 N ATOM 226 CA ASN A 20 -11.399 -8.322 -2.743 1.00 0.00 C ATOM 227 C ASN A 20 -11.016 -6.972 -2.152 1.00 0.00 C ATOM 228 O ASN A 20 -11.765 -6.322 -1.418 1.00 0.00 O ATOM 229 CB ASN A 20 -12.822 -8.790 -2.448 1.00 0.00 C ATOM 230 CG ASN A 20 -13.915 -7.744 -2.629 1.00 0.00 C ATOM 231 OD1 ASN A 20 -14.020 -7.073 -3.658 1.00 0.00 O ATOM 232 ND2 ASN A 20 -14.777 -7.634 -1.633 1.00 0.00 N ATOM 0 H ASN A 20 -10.222 -10.007 -3.017 1.00 0.00 H new ATOM 0 HA ASN A 20 -11.336 -8.167 -3.820 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -13.047 -9.638 -3.094 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -12.859 -9.153 -1.421 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -15.556 -6.980 -1.703 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -14.663 -8.203 -0.794 1.00 0.00 H new ATOM 239 N VAL A 21 -9.802 -6.543 -2.504 1.00 0.00 N ATOM 240 CA VAL A 21 -9.470 -5.139 -2.462 1.00 0.00 C ATOM 241 C VAL A 21 -10.514 -4.455 -3.318 1.00 0.00 C ATOM 242 O VAL A 21 -10.957 -5.003 -4.330 1.00 0.00 O ATOM 243 CB VAL A 21 -8.058 -4.865 -3.006 1.00 0.00 C ATOM 244 CG1 VAL A 21 -7.607 -3.435 -2.704 1.00 0.00 C ATOM 245 CG2 VAL A 21 -7.047 -5.779 -2.313 1.00 0.00 C ATOM 0 H VAL A 21 -9.046 -7.151 -2.817 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.468 -4.769 -1.437 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.099 -5.035 -4.082 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.605 -3.278 -3.103 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -8.297 -2.730 -3.168 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.597 -3.277 -1.626 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.049 -5.580 -2.703 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.061 -5.590 -1.240 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -7.309 -6.820 -2.501 1.00 0.00 H new ATOM 255 N ARG A 22 -10.866 -3.246 -2.932 1.00 0.00 N ATOM 256 CA ARG A 22 -11.720 -2.315 -3.655 1.00 0.00 C ATOM 257 C ARG A 22 -11.091 -0.940 -3.441 1.00 0.00 C ATOM 258 O ARG A 22 -10.256 -0.790 -2.558 1.00 0.00 O ATOM 259 CB ARG A 22 -13.166 -2.400 -3.126 1.00 0.00 C ATOM 260 CG ARG A 22 -13.595 -3.798 -2.630 1.00 0.00 C ATOM 261 CD ARG A 22 -15.005 -3.829 -2.048 1.00 0.00 C ATOM 262 NE ARG A 22 -16.024 -3.751 -3.104 1.00 0.00 N ATOM 263 CZ ARG A 22 -17.329 -3.503 -2.964 1.00 0.00 C ATOM 264 NH1 ARG A 22 -17.895 -3.329 -1.775 1.00 0.00 N ATOM 265 NH2 ARG A 22 -18.075 -3.402 -4.053 1.00 0.00 N ATOM 0 H ARG A 22 -10.543 -2.858 -2.046 1.00 0.00 H new ATOM 0 HA ARG A 22 -11.786 -2.539 -4.720 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -13.281 -1.689 -2.308 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -13.846 -2.087 -3.918 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -13.537 -4.503 -3.459 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -12.890 -4.139 -1.872 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -15.143 -4.745 -1.474 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -15.133 -2.997 -1.355 1.00 0.00 H new ATOM 0 HE ARG A 22 -15.696 -3.905 -4.057 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -17.329 -3.383 -0.928 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -18.895 -3.141 -1.709 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -17.651 -3.513 -4.974 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -19.074 -3.213 -3.971 1.00 0.00 H new ATOM 279 N VAL A 23 -11.387 0.069 -4.241 1.00 0.00 N ATOM 280 CA VAL A 23 -10.993 1.440 -3.941 1.00 0.00 C ATOM 281 C VAL A 23 -12.051 2.389 -4.478 1.00 0.00 C ATOM 282 O VAL A 23 -12.676 2.132 -5.511 1.00 0.00 O ATOM 283 CB VAL A 23 -9.542 1.708 -4.401 1.00 0.00 C ATOM 284 CG1 VAL A 23 -9.167 0.893 -5.630 1.00 0.00 C ATOM 285 CG2 VAL A 23 -9.108 3.170 -4.519 1.00 0.00 C ATOM 0 H VAL A 23 -11.905 -0.035 -5.114 1.00 0.00 H new ATOM 0 HA VAL A 23 -10.958 1.619 -2.866 1.00 0.00 H new ATOM 0 HB VAL A 23 -8.953 1.353 -3.555 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -8.139 1.116 -5.915 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -9.259 -0.169 -5.404 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -9.835 1.148 -6.453 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -8.070 3.216 -4.850 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -9.743 3.681 -5.243 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -9.201 3.657 -3.548 1.00 0.00 H new ATOM 295 N ASN A 24 -12.235 3.481 -3.754 1.00 0.00 N ATOM 296 CA ASN A 24 -13.083 4.617 -4.050 1.00 0.00 C ATOM 297 C ASN A 24 -12.208 5.871 -4.023 1.00 0.00 C ATOM 298 O ASN A 24 -11.239 5.914 -3.269 1.00 0.00 O ATOM 299 CB ASN A 24 -14.149 4.669 -2.953 1.00 0.00 C ATOM 300 CG ASN A 24 -15.016 5.900 -3.083 1.00 0.00 C ATOM 301 OD1 ASN A 24 -15.608 6.116 -4.138 1.00 0.00 O ATOM 302 ND2 ASN A 24 -15.079 6.710 -2.041 1.00 0.00 N ATOM 0 H ASN A 24 -11.750 3.602 -2.865 1.00 0.00 H new ATOM 0 HA ASN A 24 -13.563 4.545 -5.026 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -14.772 3.776 -3.007 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -13.667 4.663 -1.975 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -15.639 7.561 -2.090 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -14.568 6.484 -1.188 1.00 0.00 H new ATOM 309 N VAL A 25 -12.535 6.918 -4.777 1.00 0.00 N ATOM 310 CA VAL A 25 -11.837 8.202 -4.655 1.00 0.00 C ATOM 311 C VAL A 25 -12.728 9.134 -3.843 1.00 0.00 C ATOM 312 O VAL A 25 -13.949 9.046 -3.947 1.00 0.00 O ATOM 313 CB VAL A 25 -11.438 8.742 -6.040 1.00 0.00 C ATOM 314 CG1 VAL A 25 -10.688 10.077 -5.935 1.00 0.00 C ATOM 315 CG2 VAL A 25 -10.523 7.716 -6.722 1.00 0.00 C ATOM 0 H VAL A 25 -13.276 6.906 -5.478 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.891 8.099 -4.124 1.00 0.00 H new ATOM 0 HB VAL A 25 -12.348 8.907 -6.617 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -10.424 10.425 -6.933 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -11.326 10.816 -5.450 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.781 9.939 -5.347 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -10.232 8.085 -7.705 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -9.632 7.562 -6.114 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -11.055 6.771 -6.832 1.00 0.00 H new ATOM 325 N VAL A 26 -12.137 9.998 -3.023 1.00 0.00 N ATOM 326 CA VAL A 26 -12.875 10.813 -2.067 1.00 0.00 C ATOM 327 C VAL A 26 -12.779 12.267 -2.526 1.00 0.00 C ATOM 328 O VAL A 26 -13.793 12.918 -2.775 1.00 0.00 O ATOM 329 CB VAL A 26 -12.300 10.578 -0.653 1.00 0.00 C ATOM 330 CG1 VAL A 26 -12.976 11.471 0.386 1.00 0.00 C ATOM 331 CG2 VAL A 26 -12.351 9.090 -0.209 1.00 0.00 C ATOM 0 H VAL A 26 -11.129 10.152 -3.004 1.00 0.00 H new ATOM 0 HA VAL A 26 -13.930 10.544 -2.021 1.00 0.00 H new ATOM 0 HB VAL A 26 -11.247 10.853 -0.716 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -12.545 11.277 1.368 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -12.822 12.517 0.122 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -14.044 11.257 0.410 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -11.932 8.995 0.793 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -13.386 8.747 -0.204 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -11.771 8.483 -0.904 1.00 0.00 H new ATOM 341 N ASN A 27 -11.553 12.774 -2.657 1.00 0.00 N ATOM 342 CA ASN A 27 -11.253 14.152 -3.013 1.00 0.00 C ATOM 343 C ASN A 27 -10.329 14.124 -4.234 1.00 0.00 C ATOM 344 O ASN A 27 -10.049 13.056 -4.774 1.00 0.00 O ATOM 345 CB ASN A 27 -10.581 14.888 -1.847 1.00 0.00 C ATOM 346 CG ASN A 27 -11.253 14.829 -0.481 1.00 0.00 C ATOM 347 OD1 ASN A 27 -10.445 14.617 0.544 1.00 0.00 O flip ATOM 348 ND2 ASN A 27 -12.455 14.995 -0.316 1.00 0.00 N flip ATOM 0 H ASN A 27 -10.714 12.212 -2.512 1.00 0.00 H new ATOM 0 HA ASN A 27 -12.174 14.688 -3.242 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -9.571 14.492 -1.740 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -10.484 15.937 -2.126 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -13.062 15.157 -1.119 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -12.849 14.971 0.625 1.00 0.00 H new ATOM 355 N SER A 28 -9.804 15.269 -4.670 1.00 0.00 N ATOM 356 CA SER A 28 -8.833 15.282 -5.765 1.00 0.00 C ATOM 357 C SER A 28 -7.504 14.642 -5.371 1.00 0.00 C ATOM 358 O SER A 28 -6.828 14.076 -6.225 1.00 0.00 O ATOM 359 CB SER A 28 -8.565 16.705 -6.269 1.00 0.00 C ATOM 360 OG SER A 28 -9.122 17.725 -5.449 1.00 0.00 O ATOM 0 H SER A 28 -10.030 16.188 -4.289 1.00 0.00 H new ATOM 0 HA SER A 28 -9.283 14.692 -6.564 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.488 16.857 -6.339 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.967 16.804 -7.277 1.00 0.00 H new ATOM 0 HG SER A 28 -8.910 18.603 -5.830 1.00 0.00 H new ATOM 366 N THR A 29 -7.115 14.755 -4.099 1.00 0.00 N ATOM 367 CA THR A 29 -5.793 14.346 -3.631 1.00 0.00 C ATOM 368 C THR A 29 -5.904 13.304 -2.515 1.00 0.00 C ATOM 369 O THR A 29 -4.918 13.036 -1.826 1.00 0.00 O ATOM 370 CB THR A 29 -4.950 15.592 -3.283 1.00 0.00 C ATOM 371 OG1 THR A 29 -5.381 16.302 -2.140 1.00 0.00 O ATOM 372 CG2 THR A 29 -4.927 16.592 -4.445 1.00 0.00 C ATOM 0 H THR A 29 -7.712 15.134 -3.364 1.00 0.00 H new ATOM 0 HA THR A 29 -5.251 13.836 -4.427 1.00 0.00 H new ATOM 0 HB THR A 29 -3.962 15.181 -3.077 1.00 0.00 H new ATOM 0 HG1 THR A 29 -4.793 17.072 -1.992 1.00 0.00 H new ATOM 0 HG21 THR A 29 -4.325 17.458 -4.168 1.00 0.00 H new ATOM 0 HG22 THR A 29 -4.495 16.117 -5.326 1.00 0.00 H new ATOM 0 HG23 THR A 29 -5.944 16.914 -4.668 1.00 0.00 H new ATOM 380 N LEU A 30 -7.108 12.742 -2.338 1.00 0.00 N ATOM 381 CA LEU A 30 -7.463 11.764 -1.330 1.00 0.00 C ATOM 382 C LEU A 30 -8.269 10.670 -2.008 1.00 0.00 C ATOM 383 O LEU A 30 -9.195 10.965 -2.766 1.00 0.00 O ATOM 384 CB LEU A 30 -8.291 12.433 -0.229 1.00 0.00 C ATOM 385 CG LEU A 30 -8.374 11.717 1.118 1.00 0.00 C ATOM 386 CD1 LEU A 30 -9.262 10.485 1.106 1.00 0.00 C ATOM 387 CD2 LEU A 30 -6.987 11.440 1.702 1.00 0.00 C ATOM 0 H LEU A 30 -7.899 12.980 -2.936 1.00 0.00 H new ATOM 0 HA LEU A 30 -6.569 11.340 -0.872 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.882 13.429 -0.057 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -9.306 12.566 -0.604 1.00 0.00 H new ATOM 0 HG LEU A 30 -8.873 12.412 1.793 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.270 10.032 2.098 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -10.277 10.771 0.830 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -8.878 9.766 0.382 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.091 10.930 2.660 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.422 10.810 1.015 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -6.459 12.382 1.848 1.00 0.00 H new ATOM 399 N ALA A 31 -8.016 9.423 -1.641 1.00 0.00 N ATOM 400 CA ALA A 31 -8.786 8.269 -2.074 1.00 0.00 C ATOM 401 C ALA A 31 -8.838 7.306 -0.893 1.00 0.00 C ATOM 402 O ALA A 31 -8.170 7.537 0.117 1.00 0.00 O ATOM 403 CB ALA A 31 -8.157 7.668 -3.334 1.00 0.00 C ATOM 0 H ALA A 31 -7.247 9.180 -1.016 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.807 8.528 -2.355 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.738 6.803 -3.654 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.150 8.414 -4.128 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.135 7.358 -3.118 1.00 0.00 H new ATOM 409 N GLU A 32 -9.654 6.266 -0.978 1.00 0.00 N ATOM 410 CA GLU A 32 -9.883 5.312 0.076 1.00 0.00 C ATOM 411 C GLU A 32 -9.869 3.932 -0.581 1.00 0.00 C ATOM 412 O GLU A 32 -10.712 3.612 -1.415 1.00 0.00 O ATOM 413 CB GLU A 32 -11.221 5.647 0.746 1.00 0.00 C ATOM 414 CG GLU A 32 -11.637 4.526 1.695 1.00 0.00 C ATOM 415 CD GLU A 32 -11.743 4.864 3.176 1.00 0.00 C ATOM 416 OE1 GLU A 32 -10.702 4.921 3.869 1.00 0.00 O ATOM 417 OE2 GLU A 32 -12.889 4.931 3.683 1.00 0.00 O ATOM 0 H GLU A 32 -10.192 6.063 -1.820 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.124 5.336 0.858 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.135 6.584 1.296 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.989 5.793 -0.014 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -12.605 4.148 1.366 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -10.922 3.710 1.586 1.00 0.00 H new ATOM 424 N VAL A 33 -8.917 3.101 -0.185 1.00 0.00 N ATOM 425 CA VAL A 33 -8.852 1.695 -0.550 1.00 0.00 C ATOM 426 C VAL A 33 -9.650 0.931 0.500 1.00 0.00 C ATOM 427 O VAL A 33 -9.612 1.298 1.674 1.00 0.00 O ATOM 428 CB VAL A 33 -7.382 1.234 -0.601 1.00 0.00 C ATOM 429 CG1 VAL A 33 -7.269 -0.210 -1.093 1.00 0.00 C ATOM 430 CG2 VAL A 33 -6.542 2.105 -1.543 1.00 0.00 C ATOM 0 H VAL A 33 -8.147 3.395 0.416 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.272 1.513 -1.539 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.007 1.321 0.419 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.220 -0.505 -1.118 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.815 -0.868 -0.418 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.691 -0.287 -2.095 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.513 1.746 -1.550 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.952 2.050 -2.552 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.563 3.139 -1.198 1.00 0.00 H new ATOM 440 N HIS A 34 -10.323 -0.144 0.099 1.00 0.00 N ATOM 441 CA HIS A 34 -11.029 -1.084 0.974 1.00 0.00 C ATOM 442 C HIS A 34 -10.441 -2.480 0.744 1.00 0.00 C ATOM 443 O HIS A 34 -9.879 -2.718 -0.326 1.00 0.00 O ATOM 444 CB HIS A 34 -12.547 -1.103 0.681 1.00 0.00 C ATOM 445 CG HIS A 34 -13.160 0.159 0.107 1.00 0.00 C ATOM 446 ND1 HIS A 34 -14.093 0.212 -0.909 1.00 0.00 N ATOM 447 CD2 HIS A 34 -12.920 1.446 0.503 1.00 0.00 C ATOM 448 CE1 HIS A 34 -14.375 1.498 -1.154 1.00 0.00 C ATOM 449 NE2 HIS A 34 -13.715 2.283 -0.290 1.00 0.00 N ATOM 0 H HIS A 34 -10.396 -0.397 -0.886 1.00 0.00 H new ATOM 0 HA HIS A 34 -10.900 -0.772 2.010 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -12.747 -1.920 -0.012 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -13.067 -1.338 1.610 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -12.242 1.759 1.283 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -15.036 1.851 -1.932 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -13.780 3.299 -0.223 1.00 0.00 H new ATOM 457 N TRP A 35 -10.597 -3.420 1.677 1.00 0.00 N ATOM 458 CA TRP A 35 -10.265 -4.827 1.461 1.00 0.00 C ATOM 459 C TRP A 35 -10.957 -5.710 2.501 1.00 0.00 C ATOM 460 O TRP A 35 -11.375 -5.221 3.554 1.00 0.00 O ATOM 461 CB TRP A 35 -8.745 -5.017 1.514 1.00 0.00 C ATOM 462 CG TRP A 35 -8.092 -4.592 2.796 1.00 0.00 C ATOM 463 CD1 TRP A 35 -8.041 -5.309 3.941 1.00 0.00 C ATOM 464 CD2 TRP A 35 -7.523 -3.291 3.118 1.00 0.00 C ATOM 465 NE1 TRP A 35 -7.502 -4.528 4.945 1.00 0.00 N ATOM 466 CE2 TRP A 35 -7.176 -3.267 4.499 1.00 0.00 C ATOM 467 CE3 TRP A 35 -7.335 -2.103 2.389 1.00 0.00 C ATOM 468 CZ2 TRP A 35 -6.691 -2.110 5.135 1.00 0.00 C ATOM 469 CZ3 TRP A 35 -6.829 -0.943 2.999 1.00 0.00 C ATOM 470 CH2 TRP A 35 -6.497 -0.948 4.364 1.00 0.00 C ATOM 0 H TRP A 35 -10.960 -3.224 2.610 1.00 0.00 H new ATOM 0 HA TRP A 35 -10.622 -5.126 0.475 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -8.520 -6.070 1.342 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -8.296 -4.457 0.693 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -8.370 -6.332 4.053 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -7.362 -4.848 5.903 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -7.585 -2.082 1.338 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -6.472 -2.113 6.193 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -6.695 -0.044 2.416 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -6.092 -0.058 4.823 1.00 0.00 H new ATOM 481 N ASP A 36 -11.054 -7.014 2.224 1.00 0.00 N ATOM 482 CA ASP A 36 -11.726 -7.964 3.109 1.00 0.00 C ATOM 483 C ASP A 36 -10.731 -8.445 4.185 1.00 0.00 C ATOM 484 O ASP A 36 -9.575 -8.732 3.857 1.00 0.00 O ATOM 485 CB ASP A 36 -12.339 -9.136 2.307 1.00 0.00 C ATOM 486 CG ASP A 36 -13.576 -8.739 1.480 1.00 0.00 C ATOM 487 OD1 ASP A 36 -14.125 -7.624 1.658 1.00 0.00 O ATOM 488 OD2 ASP A 36 -14.024 -9.528 0.618 1.00 0.00 O ATOM 0 H ASP A 36 -10.669 -7.438 1.380 1.00 0.00 H new ATOM 0 HA ASP A 36 -12.559 -7.471 3.610 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -11.581 -9.543 1.638 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -12.615 -9.933 2.998 1.00 0.00 H new ATOM 493 N PRO A 37 -11.133 -8.508 5.470 1.00 0.00 N ATOM 494 CA PRO A 37 -10.244 -8.804 6.593 1.00 0.00 C ATOM 495 C PRO A 37 -9.891 -10.293 6.654 1.00 0.00 C ATOM 496 O PRO A 37 -10.778 -11.131 6.862 1.00 0.00 O ATOM 497 CB PRO A 37 -11.016 -8.378 7.845 1.00 0.00 C ATOM 498 CG PRO A 37 -12.486 -8.486 7.440 1.00 0.00 C ATOM 499 CD PRO A 37 -12.471 -8.187 5.946 1.00 0.00 C ATOM 0 HA PRO A 37 -9.296 -8.275 6.497 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -10.788 -9.026 8.692 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -10.760 -7.361 8.143 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -12.886 -9.479 7.646 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -13.105 -7.773 7.985 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -13.221 -8.782 5.424 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -12.708 -7.140 5.758 1.00 0.00 H new ATOM 507 N VAL A 38 -8.614 -10.642 6.493 1.00 0.00 N ATOM 508 CA VAL A 38 -8.201 -12.043 6.436 1.00 0.00 C ATOM 509 C VAL A 38 -8.269 -12.728 7.817 1.00 0.00 C ATOM 510 O VAL A 38 -8.215 -12.052 8.850 1.00 0.00 O ATOM 511 CB VAL A 38 -6.811 -12.181 5.790 1.00 0.00 C ATOM 512 CG1 VAL A 38 -6.826 -11.668 4.364 1.00 0.00 C ATOM 513 CG2 VAL A 38 -5.716 -11.430 6.530 1.00 0.00 C ATOM 0 H VAL A 38 -7.849 -9.974 6.400 1.00 0.00 H new ATOM 0 HA VAL A 38 -8.914 -12.568 5.800 1.00 0.00 H new ATOM 0 HB VAL A 38 -6.588 -13.247 5.830 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -5.833 -11.776 3.928 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.544 -12.242 3.778 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.112 -10.616 4.359 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.765 -11.574 6.017 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.957 -10.367 6.556 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.639 -11.810 7.549 1.00 0.00 H new ATOM 523 N PRO A 39 -8.361 -14.068 7.860 1.00 0.00 N ATOM 524 CA PRO A 39 -8.501 -14.830 9.083 1.00 0.00 C ATOM 525 C PRO A 39 -7.149 -15.078 9.741 1.00 0.00 C ATOM 526 O PRO A 39 -6.120 -15.268 9.074 1.00 0.00 O ATOM 527 CB PRO A 39 -9.160 -16.149 8.670 1.00 0.00 C ATOM 528 CG PRO A 39 -8.740 -16.347 7.216 1.00 0.00 C ATOM 529 CD PRO A 39 -8.421 -14.942 6.710 1.00 0.00 C ATOM 0 HA PRO A 39 -9.098 -14.293 9.820 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -8.823 -16.975 9.297 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -10.245 -16.098 8.767 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -7.872 -17.002 7.140 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -9.538 -16.806 6.632 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -7.473 -14.934 6.173 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -9.186 -14.604 6.011 1.00 0.00 H new ATOM 537 N LEU A 40 -7.174 -15.178 11.072 1.00 0.00 N ATOM 538 CA LEU A 40 -5.980 -15.377 11.883 1.00 0.00 C ATOM 539 C LEU A 40 -5.224 -16.654 11.523 1.00 0.00 C ATOM 540 O LEU A 40 -4.007 -16.686 11.697 1.00 0.00 O ATOM 541 CB LEU A 40 -6.299 -15.302 13.380 1.00 0.00 C ATOM 542 CG LEU A 40 -6.257 -13.838 13.874 1.00 0.00 C ATOM 543 CD1 LEU A 40 -7.609 -13.128 13.746 1.00 0.00 C ATOM 544 CD2 LEU A 40 -5.752 -13.819 15.309 1.00 0.00 C ATOM 0 H LEU A 40 -8.034 -15.122 11.618 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.306 -14.553 11.649 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.285 -15.727 13.569 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.581 -15.901 13.940 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.573 -13.280 13.234 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.518 -12.104 14.108 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.917 -13.117 12.700 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.355 -13.657 14.338 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.718 -12.791 15.669 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.424 -14.402 15.939 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.752 -14.251 15.349 1.00 0.00 H new ATOM 556 N LYS A 41 -5.888 -17.684 10.985 1.00 0.00 N ATOM 557 CA LYS A 41 -5.201 -18.900 10.545 1.00 0.00 C ATOM 558 C LYS A 41 -4.181 -18.593 9.461 1.00 0.00 C ATOM 559 O LYS A 41 -3.015 -18.929 9.624 1.00 0.00 O ATOM 560 CB LYS A 41 -6.194 -20.001 10.131 1.00 0.00 C ATOM 561 CG LYS A 41 -6.807 -20.559 11.419 1.00 0.00 C ATOM 562 CD LYS A 41 -7.754 -21.750 11.268 1.00 0.00 C ATOM 563 CE LYS A 41 -7.994 -22.384 12.646 1.00 0.00 C ATOM 564 NZ LYS A 41 -8.599 -21.448 13.620 1.00 0.00 N ATOM 0 H LYS A 41 -6.898 -17.698 10.845 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.648 -19.296 11.396 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -6.968 -19.597 9.479 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.687 -20.788 9.573 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -5.994 -20.852 12.083 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.349 -19.754 11.915 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -8.700 -21.425 10.835 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.327 -22.485 10.586 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -8.645 -23.251 12.532 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.046 -22.748 13.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -8.876 -21.969 14.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.907 -20.713 13.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.439 -21.003 13.198 1.00 0.00 H new ATOM 578 N SER A 42 -4.574 -17.900 8.394 1.00 0.00 N ATOM 579 CA SER A 42 -3.637 -17.570 7.331 1.00 0.00 C ATOM 580 C SER A 42 -2.651 -16.460 7.725 1.00 0.00 C ATOM 581 O SER A 42 -1.571 -16.379 7.139 1.00 0.00 O ATOM 582 CB SER A 42 -4.412 -17.210 6.072 1.00 0.00 C ATOM 583 OG SER A 42 -5.453 -16.281 6.322 1.00 0.00 O ATOM 0 H SER A 42 -5.525 -17.561 8.246 1.00 0.00 H new ATOM 0 HA SER A 42 -3.023 -18.450 7.139 1.00 0.00 H new ATOM 0 HB2 SER A 42 -3.727 -16.793 5.334 1.00 0.00 H new ATOM 0 HB3 SER A 42 -4.835 -18.116 5.638 1.00 0.00 H new ATOM 0 HG SER A 42 -5.222 -15.416 5.924 1.00 0.00 H new ATOM 589 N ILE A 43 -2.995 -15.610 8.704 1.00 0.00 N ATOM 590 CA ILE A 43 -2.049 -14.697 9.341 1.00 0.00 C ATOM 591 C ILE A 43 -1.000 -15.494 10.124 1.00 0.00 C ATOM 592 O ILE A 43 0.099 -14.987 10.302 1.00 0.00 O ATOM 593 CB ILE A 43 -2.808 -13.726 10.277 1.00 0.00 C ATOM 594 CG1 ILE A 43 -3.784 -12.842 9.469 1.00 0.00 C ATOM 595 CG2 ILE A 43 -1.862 -12.837 11.110 1.00 0.00 C ATOM 596 CD1 ILE A 43 -4.832 -12.099 10.315 1.00 0.00 C ATOM 0 H ILE A 43 -3.943 -15.540 9.074 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.538 -14.114 8.575 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.369 -14.346 10.976 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -3.207 -12.109 8.905 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.302 -13.468 8.742 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.450 -12.177 11.747 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.224 -13.466 11.730 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.243 -12.239 10.442 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -5.472 -11.505 9.662 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -5.440 -12.822 10.859 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -4.328 -11.443 11.024 1.00 0.00 H new ATOM 608 N ARG A 44 -1.311 -16.705 10.596 1.00 0.00 N ATOM 609 CA ARG A 44 -0.473 -17.619 11.374 1.00 0.00 C ATOM 610 C ARG A 44 -0.253 -17.181 12.813 1.00 0.00 C ATOM 611 O ARG A 44 -0.480 -17.973 13.728 1.00 0.00 O ATOM 612 CB ARG A 44 0.835 -17.964 10.639 1.00 0.00 C ATOM 613 CG ARG A 44 0.574 -18.651 9.285 1.00 0.00 C ATOM 614 CD ARG A 44 1.167 -20.057 9.227 1.00 0.00 C ATOM 615 NE ARG A 44 0.569 -20.931 10.251 1.00 0.00 N ATOM 616 CZ ARG A 44 0.689 -22.258 10.313 1.00 0.00 C ATOM 617 NH1 ARG A 44 1.490 -22.902 9.479 1.00 0.00 N ATOM 618 NH2 ARG A 44 -0.025 -22.926 11.205 1.00 0.00 N ATOM 0 H ARG A 44 -2.235 -17.104 10.429 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.041 -18.546 11.458 1.00 0.00 H new ATOM 0 HB2 ARG A 44 1.411 -17.053 10.478 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.441 -18.618 11.266 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -0.500 -18.704 9.108 1.00 0.00 H new ATOM 0 HG3 ARG A 44 1.000 -18.046 8.485 1.00 0.00 H new ATOM 0 HD2 ARG A 44 1.000 -20.484 8.238 1.00 0.00 H new ATOM 0 HD3 ARG A 44 2.246 -20.006 9.374 1.00 0.00 H new ATOM 0 HE ARG A 44 0.013 -20.481 10.978 1.00 0.00 H new ATOM 0 HH11 ARG A 44 2.023 -22.383 8.781 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.575 -23.917 9.535 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.655 -22.426 11.832 1.00 0.00 H new ATOM 0 HH22 ARG A 44 0.055 -23.941 11.266 1.00 0.00 H new ATOM 632 N GLY A 45 0.138 -15.933 13.008 1.00 0.00 N ATOM 633 CA GLY A 45 0.468 -15.363 14.305 1.00 0.00 C ATOM 634 C GLY A 45 -0.355 -14.116 14.607 1.00 0.00 C ATOM 635 O GLY A 45 -1.511 -14.228 15.030 1.00 0.00 O ATOM 0 H GLY A 45 0.238 -15.266 12.243 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.297 -16.108 15.082 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.529 -15.113 14.332 1.00 0.00 H new ATOM 639 N HIS A 46 0.232 -12.935 14.395 1.00 0.00 N ATOM 640 CA HIS A 46 -0.276 -11.627 14.808 1.00 0.00 C ATOM 641 C HIS A 46 -0.065 -10.628 13.679 1.00 0.00 C ATOM 642 O HIS A 46 1.064 -10.192 13.438 1.00 0.00 O ATOM 643 CB HIS A 46 0.464 -11.155 16.073 1.00 0.00 C ATOM 644 CG HIS A 46 -0.196 -11.577 17.354 1.00 0.00 C ATOM 645 ND1 HIS A 46 -1.039 -10.785 18.095 1.00 0.00 N ATOM 646 CD2 HIS A 46 -0.101 -12.790 17.976 1.00 0.00 C ATOM 647 CE1 HIS A 46 -1.452 -11.496 19.154 1.00 0.00 C ATOM 648 NE2 HIS A 46 -0.925 -12.734 19.112 1.00 0.00 N ATOM 0 H HIS A 46 1.123 -12.864 13.904 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.340 -11.703 15.031 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.482 -11.545 16.054 1.00 0.00 H new ATOM 0 HB3 HIS A 46 0.539 -10.068 16.055 1.00 0.00 H new ATOM 0 HD2 HIS A 46 0.495 -13.632 17.655 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -2.111 -11.129 19.927 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -1.092 -13.488 19.778 1.00 0.00 H new ATOM 656 N LEU A 47 -1.151 -10.277 12.984 1.00 0.00 N ATOM 657 CA LEU A 47 -1.137 -9.313 11.896 1.00 0.00 C ATOM 658 C LEU A 47 -0.626 -7.989 12.449 1.00 0.00 C ATOM 659 O LEU A 47 -1.090 -7.509 13.485 1.00 0.00 O ATOM 660 CB LEU A 47 -2.546 -9.140 11.306 1.00 0.00 C ATOM 661 CG LEU A 47 -2.543 -8.280 10.020 1.00 0.00 C ATOM 662 CD1 LEU A 47 -2.603 -9.129 8.751 1.00 0.00 C ATOM 663 CD2 LEU A 47 -3.707 -7.298 10.005 1.00 0.00 C ATOM 0 H LEU A 47 -2.076 -10.665 13.170 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.487 -9.664 11.095 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.967 -10.120 11.084 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.194 -8.676 12.049 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.600 -7.734 10.031 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.599 -8.478 7.877 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.738 -9.791 8.715 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.516 -9.725 8.755 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.675 -6.710 9.088 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.647 -7.848 10.051 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.633 -6.633 10.865 1.00 0.00 H new ATOM 675 N GLN A 48 0.325 -7.401 11.744 1.00 0.00 N ATOM 676 CA GLN A 48 0.883 -6.094 12.025 1.00 0.00 C ATOM 677 C GLN A 48 0.195 -5.021 11.193 1.00 0.00 C ATOM 678 O GLN A 48 0.161 -3.860 11.600 1.00 0.00 O ATOM 679 CB GLN A 48 2.381 -6.161 11.728 1.00 0.00 C ATOM 680 CG GLN A 48 3.134 -7.062 12.703 1.00 0.00 C ATOM 681 CD GLN A 48 2.811 -6.804 14.163 1.00 0.00 C ATOM 682 OE1 GLN A 48 2.812 -5.681 14.641 1.00 0.00 O ATOM 683 NE2 GLN A 48 2.385 -7.826 14.882 1.00 0.00 N ATOM 0 H GLN A 48 0.746 -7.842 10.926 1.00 0.00 H new ATOM 0 HA GLN A 48 0.724 -5.825 13.069 1.00 0.00 H new ATOM 0 HB2 GLN A 48 2.530 -6.527 10.712 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.801 -5.156 11.770 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.905 -8.102 12.470 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.205 -6.929 12.550 1.00 0.00 H new ATOM 0 HE21 GLN A 48 2.384 -8.765 14.483 1.00 0.00 H new ATOM 0 HE22 GLN A 48 2.057 -7.677 15.836 1.00 0.00 H new ATOM 692 N GLY A 49 -0.389 -5.402 10.060 1.00 0.00 N ATOM 693 CA GLY A 49 -1.246 -4.564 9.257 1.00 0.00 C ATOM 694 C GLY A 49 -1.108 -4.948 7.799 1.00 0.00 C ATOM 695 O GLY A 49 -0.763 -6.083 7.451 1.00 0.00 O ATOM 0 H GLY A 49 -0.268 -6.337 9.671 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -2.282 -4.674 9.576 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.980 -3.516 9.395 1.00 0.00 H new ATOM 699 N TYR A 50 -1.384 -3.969 6.951 1.00 0.00 N ATOM 700 CA TYR A 50 -1.479 -4.095 5.515 1.00 0.00 C ATOM 701 C TYR A 50 -0.567 -3.021 4.922 1.00 0.00 C ATOM 702 O TYR A 50 -0.690 -1.843 5.279 1.00 0.00 O ATOM 703 CB TYR A 50 -2.950 -3.889 5.143 1.00 0.00 C ATOM 704 CG TYR A 50 -3.850 -4.978 5.692 1.00 0.00 C ATOM 705 CD1 TYR A 50 -3.854 -6.244 5.084 1.00 0.00 C ATOM 706 CD2 TYR A 50 -4.653 -4.751 6.821 1.00 0.00 C ATOM 707 CE1 TYR A 50 -4.705 -7.262 5.545 1.00 0.00 C ATOM 708 CE2 TYR A 50 -5.499 -5.764 7.298 1.00 0.00 C ATOM 709 CZ TYR A 50 -5.549 -7.012 6.641 1.00 0.00 C ATOM 710 OH TYR A 50 -6.417 -7.975 7.035 1.00 0.00 O ATOM 0 H TYR A 50 -1.556 -3.015 7.270 1.00 0.00 H new ATOM 0 HA TYR A 50 -1.165 -5.067 5.133 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -3.284 -2.923 5.520 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -3.045 -3.857 4.058 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -3.194 -6.437 4.251 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.620 -3.795 7.323 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -4.711 -8.228 5.062 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -6.113 -5.588 8.169 1.00 0.00 H new ATOM 0 HH TYR A 50 -6.932 -7.656 7.805 1.00 0.00 H new ATOM 720 N ARG A 51 0.405 -3.392 4.083 1.00 0.00 N ATOM 721 CA ARG A 51 1.319 -2.437 3.476 1.00 0.00 C ATOM 722 C ARG A 51 0.794 -2.220 2.066 1.00 0.00 C ATOM 723 O ARG A 51 0.848 -3.142 1.251 1.00 0.00 O ATOM 724 CB ARG A 51 2.765 -2.957 3.553 1.00 0.00 C ATOM 725 CG ARG A 51 3.762 -1.812 3.333 1.00 0.00 C ATOM 726 CD ARG A 51 5.205 -2.305 3.157 1.00 0.00 C ATOM 727 NE ARG A 51 5.801 -2.677 4.447 1.00 0.00 N ATOM 728 CZ ARG A 51 6.599 -3.713 4.727 1.00 0.00 C ATOM 729 NH1 ARG A 51 7.039 -4.552 3.790 1.00 0.00 N ATOM 730 NH2 ARG A 51 6.914 -3.888 5.998 1.00 0.00 N ATOM 0 H ARG A 51 0.575 -4.360 3.810 1.00 0.00 H new ATOM 0 HA ARG A 51 1.357 -1.479 3.994 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.940 -3.418 4.525 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.920 -3.731 2.801 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.467 -1.244 2.451 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.717 -1.129 4.181 1.00 0.00 H new ATOM 0 HD2 ARG A 51 5.219 -3.164 2.486 1.00 0.00 H new ATOM 0 HD3 ARG A 51 5.804 -1.524 2.688 1.00 0.00 H new ATOM 0 HE ARG A 51 5.577 -2.065 5.232 1.00 0.00 H new ATOM 0 HH11 ARG A 51 6.768 -4.416 2.816 1.00 0.00 H new ATOM 0 HH12 ARG A 51 7.647 -5.330 4.047 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.552 -3.249 6.706 1.00 0.00 H new ATOM 0 HH22 ARG A 51 7.520 -4.662 6.271 1.00 0.00 H new ATOM 744 N ILE A 52 0.180 -1.067 1.818 1.00 0.00 N ATOM 745 CA ILE A 52 -0.360 -0.723 0.512 1.00 0.00 C ATOM 746 C ILE A 52 0.828 -0.284 -0.334 1.00 0.00 C ATOM 747 O ILE A 52 1.530 0.663 0.018 1.00 0.00 O ATOM 748 CB ILE A 52 -1.465 0.354 0.619 1.00 0.00 C ATOM 749 CG1 ILE A 52 -2.632 -0.211 1.461 1.00 0.00 C ATOM 750 CG2 ILE A 52 -1.953 0.769 -0.784 1.00 0.00 C ATOM 751 CD1 ILE A 52 -3.857 0.702 1.542 1.00 0.00 C ATOM 0 H ILE A 52 0.044 -0.343 2.523 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.856 -1.573 0.044 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.065 1.243 1.106 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.936 -1.169 1.040 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.273 -0.406 2.471 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.730 1.527 -0.689 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.118 1.175 -1.354 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.357 -0.102 -1.301 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.625 0.227 2.152 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.573 1.653 1.993 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.247 0.878 0.539 1.00 0.00 H new ATOM 763 N TYR A 53 1.106 -0.984 -1.424 1.00 0.00 N ATOM 764 CA TYR A 53 2.035 -0.546 -2.458 1.00 0.00 C ATOM 765 C TYR A 53 1.230 0.193 -3.511 1.00 0.00 C ATOM 766 O TYR A 53 0.111 -0.222 -3.777 1.00 0.00 O ATOM 767 CB TYR A 53 2.745 -1.775 -3.045 1.00 0.00 C ATOM 768 CG TYR A 53 3.834 -2.333 -2.152 1.00 0.00 C ATOM 769 CD1 TYR A 53 3.524 -3.257 -1.133 1.00 0.00 C ATOM 770 CD2 TYR A 53 5.147 -1.843 -2.271 1.00 0.00 C ATOM 771 CE1 TYR A 53 4.528 -3.684 -0.244 1.00 0.00 C ATOM 772 CE2 TYR A 53 6.162 -2.297 -1.413 1.00 0.00 C ATOM 773 CZ TYR A 53 5.854 -3.214 -0.387 1.00 0.00 C ATOM 774 OH TYR A 53 6.808 -3.600 0.501 1.00 0.00 O ATOM 0 H TYR A 53 0.684 -1.892 -1.619 1.00 0.00 H new ATOM 0 HA TYR A 53 2.801 0.120 -2.060 1.00 0.00 H new ATOM 0 HB2 TYR A 53 2.007 -2.555 -3.233 1.00 0.00 H new ATOM 0 HB3 TYR A 53 3.179 -1.507 -4.008 1.00 0.00 H new ATOM 0 HD1 TYR A 53 2.518 -3.636 -1.035 1.00 0.00 H new ATOM 0 HD2 TYR A 53 5.377 -1.110 -3.030 1.00 0.00 H new ATOM 0 HE1 TYR A 53 4.285 -4.374 0.551 1.00 0.00 H new ATOM 0 HE2 TYR A 53 7.175 -1.945 -1.539 1.00 0.00 H new ATOM 0 HH TYR A 53 7.665 -3.189 0.260 1.00 0.00 H new ATOM 784 N TYR A 54 1.751 1.261 -4.117 1.00 0.00 N ATOM 785 CA TYR A 54 1.129 1.934 -5.243 1.00 0.00 C ATOM 786 C TYR A 54 2.153 2.673 -6.099 1.00 0.00 C ATOM 787 O TYR A 54 3.326 2.754 -5.726 1.00 0.00 O ATOM 788 CB TYR A 54 0.052 2.882 -4.722 1.00 0.00 C ATOM 789 CG TYR A 54 0.550 4.128 -4.041 1.00 0.00 C ATOM 790 CD1 TYR A 54 0.825 4.100 -2.667 1.00 0.00 C ATOM 791 CD2 TYR A 54 0.695 5.311 -4.779 1.00 0.00 C ATOM 792 CE1 TYR A 54 1.249 5.273 -2.015 1.00 0.00 C ATOM 793 CE2 TYR A 54 1.118 6.487 -4.140 1.00 0.00 C ATOM 794 CZ TYR A 54 1.376 6.479 -2.752 1.00 0.00 C ATOM 795 OH TYR A 54 1.796 7.629 -2.159 1.00 0.00 O ATOM 0 H TYR A 54 2.633 1.685 -3.829 1.00 0.00 H new ATOM 0 HA TYR A 54 0.670 1.187 -5.890 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -0.582 3.176 -5.559 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.579 2.335 -4.021 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.712 3.181 -2.110 1.00 0.00 H new ATOM 0 HD2 TYR A 54 0.482 5.318 -5.838 1.00 0.00 H new ATOM 0 HE1 TYR A 54 1.476 5.255 -0.959 1.00 0.00 H new ATOM 0 HE2 TYR A 54 1.246 7.396 -4.709 1.00 0.00 H new ATOM 0 HH TYR A 54 1.821 8.349 -2.823 1.00 0.00 H new ATOM 805 N TRP A 55 1.733 3.158 -7.268 1.00 0.00 N ATOM 806 CA TRP A 55 2.458 4.137 -8.065 1.00 0.00 C ATOM 807 C TRP A 55 1.479 5.008 -8.865 1.00 0.00 C ATOM 808 O TRP A 55 0.316 4.628 -9.052 1.00 0.00 O ATOM 809 CB TRP A 55 3.469 3.406 -8.959 1.00 0.00 C ATOM 810 CG TRP A 55 2.968 2.269 -9.801 1.00 0.00 C ATOM 811 CD1 TRP A 55 2.526 2.354 -11.076 1.00 0.00 C ATOM 812 CD2 TRP A 55 2.905 0.850 -9.452 1.00 0.00 C ATOM 813 NE1 TRP A 55 2.199 1.097 -11.539 1.00 0.00 N ATOM 814 CE2 TRP A 55 2.403 0.131 -10.575 1.00 0.00 C ATOM 815 CE3 TRP A 55 3.209 0.096 -8.295 1.00 0.00 C ATOM 816 CZ2 TRP A 55 2.219 -1.258 -10.543 1.00 0.00 C ATOM 817 CZ3 TRP A 55 3.076 -1.308 -8.274 1.00 0.00 C ATOM 818 CH2 TRP A 55 2.569 -1.984 -9.396 1.00 0.00 C ATOM 0 H TRP A 55 0.853 2.869 -7.695 1.00 0.00 H new ATOM 0 HA TRP A 55 3.014 4.815 -7.417 1.00 0.00 H new ATOM 0 HB2 TRP A 55 3.920 4.142 -9.625 1.00 0.00 H new ATOM 0 HB3 TRP A 55 4.265 3.024 -8.320 1.00 0.00 H new ATOM 0 HD1 TRP A 55 2.442 3.268 -11.645 1.00 0.00 H new ATOM 0 HE1 TRP A 55 1.850 0.905 -12.478 1.00 0.00 H new ATOM 0 HE3 TRP A 55 3.551 0.607 -7.407 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 1.808 -1.769 -11.401 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 3.364 -1.864 -7.394 1.00 0.00 H new ATOM 0 HH2 TRP A 55 2.449 -3.057 -9.375 1.00 0.00 H new ATOM 829 N LYS A 56 1.967 6.137 -9.386 1.00 0.00 N ATOM 830 CA LYS A 56 1.311 6.939 -10.422 1.00 0.00 C ATOM 831 C LYS A 56 1.331 6.144 -11.714 1.00 0.00 C ATOM 832 O LYS A 56 2.386 5.605 -12.069 1.00 0.00 O ATOM 833 CB LYS A 56 2.117 8.237 -10.607 1.00 0.00 C ATOM 834 CG LYS A 56 1.674 9.185 -11.734 1.00 0.00 C ATOM 835 CD LYS A 56 0.342 9.886 -11.429 1.00 0.00 C ATOM 836 CE LYS A 56 0.317 11.351 -11.881 1.00 0.00 C ATOM 837 NZ LYS A 56 1.279 12.182 -11.130 1.00 0.00 N ATOM 0 H LYS A 56 2.859 6.531 -9.088 1.00 0.00 H new ATOM 0 HA LYS A 56 0.284 7.177 -10.146 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.086 8.790 -9.668 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.158 7.966 -10.783 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.447 9.937 -11.896 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.579 8.621 -12.662 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.467 9.346 -11.921 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.151 9.839 -10.357 1.00 0.00 H new ATOM 0 HE2 LYS A 56 0.546 11.405 -12.945 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.688 11.753 -11.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.216 13.167 -11.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.057 12.139 -10.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.243 11.826 -11.289 1.00 0.00 H new ATOM 851 N THR A 57 0.232 6.145 -12.450 1.00 0.00 N ATOM 852 CA THR A 57 0.155 5.567 -13.775 1.00 0.00 C ATOM 853 C THR A 57 -0.085 6.724 -14.754 1.00 0.00 C ATOM 854 O THR A 57 -0.853 7.636 -14.445 1.00 0.00 O ATOM 855 CB THR A 57 -0.952 4.497 -13.760 1.00 0.00 C ATOM 856 OG1 THR A 57 -0.683 3.518 -12.764 1.00 0.00 O ATOM 857 CG2 THR A 57 -1.067 3.763 -15.093 1.00 0.00 C ATOM 0 H THR A 57 -0.646 6.556 -12.134 1.00 0.00 H new ATOM 0 HA THR A 57 1.066 5.059 -14.093 1.00 0.00 H new ATOM 0 HB THR A 57 -1.882 5.027 -13.556 1.00 0.00 H new ATOM 0 HG1 THR A 57 -0.443 2.671 -13.194 1.00 0.00 H new ATOM 0 HG21 THR A 57 -1.861 3.019 -15.031 1.00 0.00 H new ATOM 0 HG22 THR A 57 -1.299 4.477 -15.883 1.00 0.00 H new ATOM 0 HG23 THR A 57 -0.123 3.268 -15.318 1.00 0.00 H new ATOM 865 N GLN A 58 0.558 6.681 -15.928 1.00 0.00 N ATOM 866 CA GLN A 58 0.422 7.666 -17.006 1.00 0.00 C ATOM 867 C GLN A 58 0.650 9.106 -16.518 1.00 0.00 C ATOM 868 O GLN A 58 -0.277 9.906 -16.403 1.00 0.00 O ATOM 869 CB GLN A 58 -0.925 7.468 -17.726 1.00 0.00 C ATOM 870 CG GLN A 58 -0.908 6.276 -18.693 1.00 0.00 C ATOM 871 CD GLN A 58 -0.378 6.686 -20.069 1.00 0.00 C ATOM 872 OE1 GLN A 58 0.605 7.415 -20.202 1.00 0.00 O ATOM 873 NE2 GLN A 58 -1.014 6.240 -21.136 1.00 0.00 N ATOM 0 H GLN A 58 1.210 5.932 -16.160 1.00 0.00 H new ATOM 0 HA GLN A 58 1.213 7.496 -17.736 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.710 7.319 -16.985 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -1.175 8.375 -18.277 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.285 5.481 -18.283 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.915 5.872 -18.794 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -1.829 5.636 -21.029 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -0.691 6.499 -22.068 1.00 0.00 H new ATOM 882 N SER A 59 1.920 9.427 -16.261 1.00 0.00 N ATOM 883 CA SER A 59 2.386 10.757 -15.885 1.00 0.00 C ATOM 884 C SER A 59 1.999 11.778 -16.972 1.00 0.00 C ATOM 885 O SER A 59 2.124 11.487 -18.166 1.00 0.00 O ATOM 886 CB SER A 59 3.902 10.665 -15.660 1.00 0.00 C ATOM 887 OG SER A 59 4.370 11.621 -14.734 1.00 0.00 O ATOM 0 H SER A 59 2.675 8.743 -16.312 1.00 0.00 H new ATOM 0 HA SER A 59 1.917 11.105 -14.965 1.00 0.00 H new ATOM 0 HB2 SER A 59 4.153 9.666 -15.304 1.00 0.00 H new ATOM 0 HB3 SER A 59 4.416 10.803 -16.611 1.00 0.00 H new ATOM 0 HG SER A 59 5.339 11.522 -14.623 1.00 0.00 H new ATOM 893 N SER A 60 1.517 12.954 -16.562 1.00 0.00 N ATOM 894 CA SER A 60 0.790 13.891 -17.419 1.00 0.00 C ATOM 895 C SER A 60 1.699 14.786 -18.285 1.00 0.00 C ATOM 896 O SER A 60 1.205 15.404 -19.232 1.00 0.00 O ATOM 897 CB SER A 60 -0.191 14.667 -16.510 1.00 0.00 C ATOM 898 OG SER A 60 -0.467 15.987 -16.942 1.00 0.00 O ATOM 0 H SER A 60 1.624 13.287 -15.604 1.00 0.00 H new ATOM 0 HA SER A 60 0.230 13.343 -18.177 1.00 0.00 H new ATOM 0 HB2 SER A 60 -1.128 14.113 -16.451 1.00 0.00 H new ATOM 0 HB3 SER A 60 0.220 14.706 -15.501 1.00 0.00 H new ATOM 0 HG SER A 60 -1.094 16.411 -16.319 1.00 0.00 H new ATOM 904 N SER A 61 3.004 14.877 -18.018 1.00 0.00 N ATOM 905 CA SER A 61 3.926 15.676 -18.828 1.00 0.00 C ATOM 906 C SER A 61 4.928 14.760 -19.535 1.00 0.00 C ATOM 907 O SER A 61 5.360 13.747 -18.978 1.00 0.00 O ATOM 908 CB SER A 61 4.608 16.727 -17.951 1.00 0.00 C ATOM 909 OG SER A 61 3.680 17.699 -17.501 1.00 0.00 O ATOM 0 H SER A 61 3.451 14.399 -17.235 1.00 0.00 H new ATOM 0 HA SER A 61 3.376 16.209 -19.604 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.075 16.242 -17.094 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.404 17.214 -18.514 1.00 0.00 H new ATOM 0 HG SER A 61 4.142 18.358 -16.941 1.00 0.00 H new ATOM 915 N LYS A 62 5.318 15.135 -20.758 1.00 0.00 N ATOM 916 CA LYS A 62 6.045 14.306 -21.718 1.00 0.00 C ATOM 917 C LYS A 62 7.362 13.839 -21.128 1.00 0.00 C ATOM 918 O LYS A 62 7.654 12.642 -21.140 1.00 0.00 O ATOM 919 CB LYS A 62 6.232 15.094 -23.025 1.00 0.00 C ATOM 920 CG LYS A 62 6.659 14.215 -24.212 1.00 0.00 C ATOM 921 CD LYS A 62 8.149 14.308 -24.545 1.00 0.00 C ATOM 922 CE LYS A 62 8.411 13.511 -25.828 1.00 0.00 C ATOM 923 NZ LYS A 62 9.825 13.580 -26.244 1.00 0.00 N ATOM 0 H LYS A 62 5.125 16.069 -21.120 1.00 0.00 H new ATOM 0 HA LYS A 62 5.471 13.408 -21.946 1.00 0.00 H new ATOM 0 HB2 LYS A 62 5.298 15.598 -23.273 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.982 15.870 -22.869 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.410 13.177 -23.992 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.081 14.502 -25.091 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.443 15.349 -24.679 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.746 13.911 -23.724 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.130 12.470 -25.671 1.00 0.00 H new ATOM 0 HE3 LYS A 62 7.779 13.895 -26.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 9.958 13.028 -27.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 10.087 14.571 -26.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.428 13.190 -25.492 1.00 0.00 H new ATOM 937 N ARG A 63 8.128 14.760 -20.538 1.00 0.00 N ATOM 938 CA ARG A 63 9.124 14.393 -19.544 1.00 0.00 C ATOM 939 C ARG A 63 8.401 13.863 -18.314 1.00 0.00 C ATOM 940 O ARG A 63 7.988 14.641 -17.453 1.00 0.00 O ATOM 941 CB ARG A 63 10.024 15.584 -19.177 1.00 0.00 C ATOM 942 CG ARG A 63 11.302 15.579 -20.017 1.00 0.00 C ATOM 943 CD ARG A 63 12.255 16.651 -19.493 1.00 0.00 C ATOM 944 NE ARG A 63 13.644 16.366 -19.874 1.00 0.00 N ATOM 945 CZ ARG A 63 14.727 16.999 -19.418 1.00 0.00 C ATOM 946 NH1 ARG A 63 14.623 18.024 -18.578 1.00 0.00 N ATOM 947 NH2 ARG A 63 15.922 16.552 -19.788 1.00 0.00 N ATOM 0 H ARG A 63 8.074 15.759 -20.734 1.00 0.00 H new ATOM 0 HA ARG A 63 9.776 13.623 -19.956 1.00 0.00 H new ATOM 0 HB2 ARG A 63 9.483 16.517 -19.336 1.00 0.00 H new ATOM 0 HB3 ARG A 63 10.279 15.540 -18.118 1.00 0.00 H new ATOM 0 HG2 ARG A 63 11.778 14.599 -19.970 1.00 0.00 H new ATOM 0 HG3 ARG A 63 11.064 15.768 -21.064 1.00 0.00 H new ATOM 0 HD2 ARG A 63 11.961 17.624 -19.885 1.00 0.00 H new ATOM 0 HD3 ARG A 63 12.179 16.709 -18.407 1.00 0.00 H new ATOM 0 HE ARG A 63 13.795 15.616 -20.549 1.00 0.00 H new ATOM 0 HH11 ARG A 63 13.703 18.340 -18.270 1.00 0.00 H new ATOM 0 HH12 ARG A 63 15.463 18.494 -18.241 1.00 0.00 H new ATOM 0 HH21 ARG A 63 15.995 15.744 -20.406 1.00 0.00 H new ATOM 0 HH22 ARG A 63 16.766 17.017 -19.454 1.00 0.00 H new ATOM 961 N ASN A 64 8.279 12.546 -18.217 1.00 0.00 N ATOM 962 CA ASN A 64 8.295 11.838 -16.947 1.00 0.00 C ATOM 963 C ASN A 64 9.764 11.612 -16.545 1.00 0.00 C ATOM 964 O ASN A 64 10.684 11.955 -17.297 1.00 0.00 O ATOM 965 CB ASN A 64 7.505 10.526 -17.078 1.00 0.00 C ATOM 966 CG ASN A 64 8.174 9.478 -17.963 1.00 0.00 C ATOM 967 OD1 ASN A 64 8.866 9.790 -18.932 1.00 0.00 O ATOM 968 ND2 ASN A 64 8.001 8.210 -17.645 1.00 0.00 N ATOM 0 H ASN A 64 8.165 11.935 -19.026 1.00 0.00 H new ATOM 0 HA ASN A 64 7.811 12.417 -16.160 1.00 0.00 H new ATOM 0 HB2 ASN A 64 7.356 10.104 -16.084 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.517 10.749 -17.481 1.00 0.00 H new ATOM 0 HD21 ASN A 64 8.442 7.479 -18.204 1.00 0.00 H new ATOM 0 HD22 ASN A 64 7.426 7.960 -16.840 1.00 0.00 H new ATOM 975 N ARG A 65 10.020 11.065 -15.355 1.00 0.00 N ATOM 976 CA ARG A 65 11.347 10.580 -14.952 1.00 0.00 C ATOM 977 C ARG A 65 11.523 9.152 -15.484 1.00 0.00 C ATOM 978 O ARG A 65 10.603 8.592 -16.083 1.00 0.00 O ATOM 979 CB ARG A 65 11.501 10.668 -13.417 1.00 0.00 C ATOM 980 CG ARG A 65 11.906 12.071 -12.920 1.00 0.00 C ATOM 981 CD ARG A 65 10.805 13.132 -13.052 1.00 0.00 C ATOM 982 NE ARG A 65 11.254 14.453 -12.580 1.00 0.00 N ATOM 983 CZ ARG A 65 10.488 15.405 -12.024 1.00 0.00 C ATOM 984 NH1 ARG A 65 9.169 15.250 -11.915 1.00 0.00 N ATOM 985 NH2 ARG A 65 11.049 16.522 -11.570 1.00 0.00 N ATOM 0 H ARG A 65 9.307 10.944 -14.635 1.00 0.00 H new ATOM 0 HA ARG A 65 12.135 11.202 -15.378 1.00 0.00 H new ATOM 0 HB2 ARG A 65 10.559 10.383 -12.948 1.00 0.00 H new ATOM 0 HB3 ARG A 65 12.250 9.946 -13.093 1.00 0.00 H new ATOM 0 HG2 ARG A 65 12.203 12.001 -11.873 1.00 0.00 H new ATOM 0 HG3 ARG A 65 12.782 12.402 -13.478 1.00 0.00 H new ATOM 0 HD2 ARG A 65 10.495 13.205 -14.094 1.00 0.00 H new ATOM 0 HD3 ARG A 65 9.931 12.821 -12.481 1.00 0.00 H new ATOM 0 HE ARG A 65 12.246 14.666 -12.686 1.00 0.00 H new ATOM 0 HH11 ARG A 65 8.726 14.397 -12.257 1.00 0.00 H new ATOM 0 HH12 ARG A 65 8.603 15.984 -11.490 1.00 0.00 H new ATOM 0 HH21 ARG A 65 12.058 16.653 -11.645 1.00 0.00 H new ATOM 0 HH22 ARG A 65 10.470 17.248 -11.147 1.00 0.00 H new ATOM 999 N ARG A 66 12.709 8.553 -15.342 1.00 0.00 N ATOM 1000 CA ARG A 66 12.914 7.157 -15.741 1.00 0.00 C ATOM 1001 C ARG A 66 12.326 6.248 -14.669 1.00 0.00 C ATOM 1002 O ARG A 66 11.287 5.636 -14.919 1.00 0.00 O ATOM 1003 CB ARG A 66 14.389 6.871 -16.070 1.00 0.00 C ATOM 1004 CG ARG A 66 14.629 6.814 -17.594 1.00 0.00 C ATOM 1005 CD ARG A 66 15.967 7.467 -17.926 1.00 0.00 C ATOM 1006 NE ARG A 66 16.396 7.248 -19.318 1.00 0.00 N ATOM 1007 CZ ARG A 66 17.568 7.660 -19.815 1.00 0.00 C ATOM 1008 NH1 ARG A 66 18.403 8.357 -19.052 1.00 0.00 N ATOM 1009 NH2 ARG A 66 17.919 7.380 -21.062 1.00 0.00 N ATOM 0 H ARG A 66 13.536 9.009 -14.957 1.00 0.00 H new ATOM 0 HA ARG A 66 12.385 6.950 -16.671 1.00 0.00 H new ATOM 0 HB2 ARG A 66 15.017 7.646 -15.631 1.00 0.00 H new ATOM 0 HB3 ARG A 66 14.687 5.925 -15.618 1.00 0.00 H new ATOM 0 HG2 ARG A 66 14.624 5.779 -17.935 1.00 0.00 H new ATOM 0 HG3 ARG A 66 13.823 7.326 -18.119 1.00 0.00 H new ATOM 0 HD2 ARG A 66 15.896 8.539 -17.740 1.00 0.00 H new ATOM 0 HD3 ARG A 66 16.730 7.077 -17.253 1.00 0.00 H new ATOM 0 HE ARG A 66 15.760 6.751 -19.942 1.00 0.00 H new ATOM 0 HH11 ARG A 66 18.150 8.577 -18.089 1.00 0.00 H new ATOM 0 HH12 ARG A 66 19.297 8.672 -19.430 1.00 0.00 H new ATOM 0 HH21 ARG A 66 17.292 6.842 -21.660 1.00 0.00 H new ATOM 0 HH22 ARG A 66 18.817 7.702 -21.424 1.00 0.00 H new ATOM 1023 N HIS A 67 12.964 6.157 -13.495 1.00 0.00 N ATOM 1024 CA HIS A 67 12.449 5.302 -12.430 1.00 0.00 C ATOM 1025 C HIS A 67 11.045 5.778 -12.031 1.00 0.00 C ATOM 1026 O HIS A 67 10.809 6.980 -11.889 1.00 0.00 O ATOM 1027 CB HIS A 67 13.438 5.194 -11.250 1.00 0.00 C ATOM 1028 CG HIS A 67 13.453 6.306 -10.223 1.00 0.00 C ATOM 1029 ND1 HIS A 67 13.661 6.130 -8.870 1.00 0.00 N ATOM 1030 CD2 HIS A 67 13.258 7.646 -10.436 1.00 0.00 C ATOM 1031 CE1 HIS A 67 13.540 7.325 -8.278 1.00 0.00 C ATOM 1032 NE2 HIS A 67 13.302 8.286 -9.191 1.00 0.00 N ATOM 0 H HIS A 67 13.823 6.657 -13.265 1.00 0.00 H new ATOM 0 HA HIS A 67 12.351 4.280 -12.795 1.00 0.00 H new ATOM 0 HB2 HIS A 67 13.231 4.261 -10.727 1.00 0.00 H new ATOM 0 HB3 HIS A 67 14.443 5.111 -11.665 1.00 0.00 H new ATOM 0 HD2 HIS A 67 13.099 8.123 -11.392 1.00 0.00 H new ATOM 0 HE1 HIS A 67 13.622 7.495 -7.215 1.00 0.00 H new ATOM 0 HE2 HIS A 67 13.178 9.282 -9.011 1.00 0.00 H new ATOM 1040 N ILE A 68 10.099 4.847 -11.899 1.00 0.00 N ATOM 1041 CA ILE A 68 8.720 5.182 -11.559 1.00 0.00 C ATOM 1042 C ILE A 68 8.683 5.624 -10.093 1.00 0.00 C ATOM 1043 O ILE A 68 9.412 5.092 -9.246 1.00 0.00 O ATOM 1044 CB ILE A 68 7.779 3.991 -11.886 1.00 0.00 C ATOM 1045 CG1 ILE A 68 7.777 3.773 -13.419 1.00 0.00 C ATOM 1046 CG2 ILE A 68 6.339 4.225 -11.384 1.00 0.00 C ATOM 1047 CD1 ILE A 68 6.967 2.562 -13.890 1.00 0.00 C ATOM 0 H ILE A 68 10.267 3.849 -12.024 1.00 0.00 H new ATOM 0 HA ILE A 68 8.351 6.012 -12.161 1.00 0.00 H new ATOM 0 HB ILE A 68 8.153 3.107 -11.370 1.00 0.00 H new ATOM 0 HG12 ILE A 68 7.381 4.668 -13.899 1.00 0.00 H new ATOM 0 HG13 ILE A 68 8.807 3.659 -13.758 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.721 3.364 -11.637 1.00 0.00 H new ATOM 0 HG22 ILE A 68 6.348 4.360 -10.302 1.00 0.00 H new ATOM 0 HG23 ILE A 68 5.929 5.117 -11.857 1.00 0.00 H new ATOM 0 HD11 ILE A 68 7.022 2.488 -14.976 1.00 0.00 H new ATOM 0 HD12 ILE A 68 7.375 1.655 -13.443 1.00 0.00 H new ATOM 0 HD13 ILE A 68 5.927 2.680 -13.587 1.00 0.00 H new ATOM 1059 N GLU A 69 7.784 6.556 -9.781 1.00 0.00 N ATOM 1060 CA GLU A 69 7.382 7.010 -8.448 1.00 0.00 C ATOM 1061 C GLU A 69 6.514 5.966 -7.726 1.00 0.00 C ATOM 1062 O GLU A 69 5.409 6.202 -7.246 1.00 0.00 O ATOM 1063 CB GLU A 69 6.733 8.390 -8.559 1.00 0.00 C ATOM 1064 CG GLU A 69 5.503 8.409 -9.472 1.00 0.00 C ATOM 1065 CD GLU A 69 5.022 9.841 -9.710 1.00 0.00 C ATOM 1066 OE1 GLU A 69 4.257 10.402 -8.891 1.00 0.00 O ATOM 1067 OE2 GLU A 69 5.428 10.415 -10.748 1.00 0.00 O ATOM 0 H GLU A 69 7.276 7.054 -10.512 1.00 0.00 H new ATOM 0 HA GLU A 69 8.263 7.117 -7.815 1.00 0.00 H new ATOM 0 HB2 GLU A 69 6.444 8.729 -7.564 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.468 9.100 -8.937 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.746 7.939 -10.425 1.00 0.00 H new ATOM 0 HG3 GLU A 69 4.702 7.822 -9.022 1.00 0.00 H new ATOM 1074 N LYS A 70 7.062 4.764 -7.650 1.00 0.00 N ATOM 1075 CA LYS A 70 6.670 3.722 -6.722 1.00 0.00 C ATOM 1076 C LYS A 70 6.659 4.289 -5.313 1.00 0.00 C ATOM 1077 O LYS A 70 7.603 4.965 -4.904 1.00 0.00 O ATOM 1078 CB LYS A 70 7.670 2.569 -6.846 1.00 0.00 C ATOM 1079 CG LYS A 70 7.408 1.721 -8.105 1.00 0.00 C ATOM 1080 CD LYS A 70 6.803 0.383 -7.687 1.00 0.00 C ATOM 1081 CE LYS A 70 6.542 -0.544 -8.879 1.00 0.00 C ATOM 1082 NZ LYS A 70 6.283 -1.935 -8.449 1.00 0.00 N ATOM 0 H LYS A 70 7.826 4.478 -8.262 1.00 0.00 H new ATOM 0 HA LYS A 70 5.670 3.352 -6.947 1.00 0.00 H new ATOM 0 HB2 LYS A 70 8.684 2.968 -6.881 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.607 1.936 -5.961 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.731 2.246 -8.778 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.338 1.560 -8.650 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.475 -0.112 -6.987 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.867 0.561 -7.158 1.00 0.00 H new ATOM 0 HE2 LYS A 70 5.688 -0.174 -9.446 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.402 -0.525 -9.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.606 -2.592 -9.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.798 -2.127 -7.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.263 -2.065 -8.291 1.00 0.00 H new ATOM 1096 N LYS A 71 5.620 3.968 -4.556 1.00 0.00 N ATOM 1097 CA LYS A 71 5.455 4.381 -3.177 1.00 0.00 C ATOM 1098 C LYS A 71 4.883 3.256 -2.327 1.00 0.00 C ATOM 1099 O LYS A 71 4.430 2.220 -2.828 1.00 0.00 O ATOM 1100 CB LYS A 71 4.555 5.626 -3.145 1.00 0.00 C ATOM 1101 CG LYS A 71 5.273 6.888 -2.677 1.00 0.00 C ATOM 1102 CD LYS A 71 5.627 6.815 -1.186 1.00 0.00 C ATOM 1103 CE LYS A 71 5.990 8.199 -0.645 1.00 0.00 C ATOM 1104 NZ LYS A 71 6.200 8.173 0.820 1.00 0.00 N ATOM 0 H LYS A 71 4.848 3.396 -4.898 1.00 0.00 H new ATOM 0 HA LYS A 71 6.427 4.627 -2.750 1.00 0.00 H new ATOM 0 HB2 LYS A 71 4.151 5.797 -4.143 1.00 0.00 H new ATOM 0 HB3 LYS A 71 3.708 5.435 -2.486 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.182 7.028 -3.261 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.640 7.756 -2.859 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.783 6.411 -0.627 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.463 6.131 -1.039 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.895 8.557 -1.137 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.195 8.905 -0.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 6.444 9.128 1.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 5.328 7.855 1.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.975 7.518 1.048 1.00 0.00 H new ATOM 1118 N ILE A 72 4.917 3.493 -1.020 1.00 0.00 N ATOM 1119 CA ILE A 72 4.556 2.584 0.049 1.00 0.00 C ATOM 1120 C ILE A 72 3.658 3.362 1.009 1.00 0.00 C ATOM 1121 O ILE A 72 3.787 4.585 1.124 1.00 0.00 O ATOM 1122 CB ILE A 72 5.863 2.070 0.710 1.00 0.00 C ATOM 1123 CG1 ILE A 72 6.611 1.098 -0.241 1.00 0.00 C ATOM 1124 CG2 ILE A 72 5.670 1.410 2.086 1.00 0.00 C ATOM 1125 CD1 ILE A 72 7.975 1.643 -0.664 1.00 0.00 C ATOM 0 H ILE A 72 5.222 4.397 -0.658 1.00 0.00 H new ATOM 0 HA ILE A 72 4.008 1.707 -0.296 1.00 0.00 H new ATOM 0 HB ILE A 72 6.462 2.963 0.888 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.743 0.136 0.255 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.002 0.918 -1.127 1.00 0.00 H new ATOM 0 HG21 ILE A 72 6.636 1.082 2.471 1.00 0.00 H new ATOM 0 HG22 ILE A 72 5.230 2.130 2.776 1.00 0.00 H new ATOM 0 HG23 ILE A 72 5.008 0.550 1.987 1.00 0.00 H new ATOM 0 HD11 ILE A 72 8.462 0.929 -1.329 1.00 0.00 H new ATOM 0 HD12 ILE A 72 7.842 2.592 -1.184 1.00 0.00 H new ATOM 0 HD13 ILE A 72 8.595 1.797 0.219 1.00 0.00 H new ATOM 1137 N LEU A 73 2.749 2.652 1.678 1.00 0.00 N ATOM 1138 CA LEU A 73 1.828 3.154 2.683 1.00 0.00 C ATOM 1139 C LEU A 73 1.640 2.068 3.726 1.00 0.00 C ATOM 1140 O LEU A 73 0.915 1.093 3.522 1.00 0.00 O ATOM 1141 CB LEU A 73 0.498 3.580 2.044 1.00 0.00 C ATOM 1142 CG LEU A 73 0.451 5.106 1.925 1.00 0.00 C ATOM 1143 CD1 LEU A 73 -0.482 5.539 0.801 1.00 0.00 C ATOM 1144 CD2 LEU A 73 -0.056 5.818 3.170 1.00 0.00 C ATOM 0 H LEU A 73 2.634 1.651 1.519 1.00 0.00 H new ATOM 0 HA LEU A 73 2.233 4.046 3.161 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.394 3.125 1.059 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.337 3.226 2.648 1.00 0.00 H new ATOM 0 HG LEU A 73 1.490 5.383 1.745 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.496 6.627 0.739 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.129 5.126 -0.144 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.489 5.174 1.003 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.057 6.894 2.999 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.070 5.485 3.392 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.595 5.585 4.013 1.00 0.00 H new ATOM 1156 N THR A 74 2.340 2.233 4.838 1.00 0.00 N ATOM 1157 CA THR A 74 2.130 1.422 6.030 1.00 0.00 C ATOM 1158 C THR A 74 0.796 1.844 6.643 1.00 0.00 C ATOM 1159 O THR A 74 0.694 2.942 7.204 1.00 0.00 O ATOM 1160 CB THR A 74 3.317 1.574 7.000 1.00 0.00 C ATOM 1161 OG1 THR A 74 4.406 0.844 6.473 1.00 0.00 O ATOM 1162 CG2 THR A 74 3.042 1.044 8.415 1.00 0.00 C ATOM 0 H THR A 74 3.073 2.935 4.941 1.00 0.00 H new ATOM 0 HA THR A 74 2.083 0.360 5.787 1.00 0.00 H new ATOM 0 HB THR A 74 3.516 2.642 7.090 1.00 0.00 H new ATOM 0 HG1 THR A 74 5.176 0.927 7.073 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.926 1.188 9.036 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.202 1.585 8.849 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.803 -0.018 8.366 1.00 0.00 H new ATOM 1170 N PHE A 75 -0.221 0.984 6.561 1.00 0.00 N ATOM 1171 CA PHE A 75 -1.365 1.033 7.454 1.00 0.00 C ATOM 1172 C PHE A 75 -1.253 -0.163 8.378 1.00 0.00 C ATOM 1173 O PHE A 75 -1.633 -1.282 8.027 1.00 0.00 O ATOM 1174 CB PHE A 75 -2.690 1.072 6.696 1.00 0.00 C ATOM 1175 CG PHE A 75 -2.889 2.381 5.971 1.00 0.00 C ATOM 1176 CD1 PHE A 75 -3.027 3.574 6.707 1.00 0.00 C ATOM 1177 CD2 PHE A 75 -2.847 2.422 4.568 1.00 0.00 C ATOM 1178 CE1 PHE A 75 -3.116 4.803 6.035 1.00 0.00 C ATOM 1179 CE2 PHE A 75 -2.961 3.649 3.898 1.00 0.00 C ATOM 1180 CZ PHE A 75 -3.101 4.838 4.634 1.00 0.00 C ATOM 0 H PHE A 75 -0.268 0.235 5.870 1.00 0.00 H new ATOM 0 HA PHE A 75 -1.358 1.956 8.034 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -2.721 0.252 5.979 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.512 0.916 7.395 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -3.064 3.543 7.786 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -2.727 1.508 4.005 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -3.196 5.722 6.597 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -2.941 3.680 2.819 1.00 0.00 H new ATOM 0 HZ PHE A 75 -3.197 5.782 4.118 1.00 0.00 H new ATOM 1190 N GLN A 76 -0.656 0.079 9.538 1.00 0.00 N ATOM 1191 CA GLN A 76 -0.685 -0.875 10.624 1.00 0.00 C ATOM 1192 C GLN A 76 -2.127 -1.057 11.119 1.00 0.00 C ATOM 1193 O GLN A 76 -2.979 -0.185 10.893 1.00 0.00 O ATOM 1194 CB GLN A 76 0.237 -0.381 11.739 1.00 0.00 C ATOM 1195 CG GLN A 76 -0.326 0.858 12.434 1.00 0.00 C ATOM 1196 CD GLN A 76 0.660 1.466 13.402 1.00 0.00 C ATOM 1197 OE1 GLN A 76 0.559 1.230 14.601 1.00 0.00 O ATOM 1198 NE2 GLN A 76 1.582 2.275 12.911 1.00 0.00 N ATOM 0 H GLN A 76 -0.144 0.936 9.745 1.00 0.00 H new ATOM 0 HA GLN A 76 -0.329 -1.848 10.286 1.00 0.00 H new ATOM 0 HB2 GLN A 76 0.379 -1.175 12.472 1.00 0.00 H new ATOM 0 HB3 GLN A 76 1.218 -0.151 11.324 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -0.601 1.600 11.684 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -1.238 0.590 12.967 1.00 0.00 H new ATOM 0 HE21 GLN A 76 1.630 2.443 11.906 1.00 0.00 H new ATOM 0 HE22 GLN A 76 2.246 2.731 13.537 1.00 0.00 H new ATOM 1207 N GLY A 77 -2.353 -2.117 11.890 1.00 0.00 N ATOM 1208 CA GLY A 77 -3.647 -2.436 12.479 1.00 0.00 C ATOM 1209 C GLY A 77 -4.461 -3.314 11.531 1.00 0.00 C ATOM 1210 O GLY A 77 -4.308 -3.255 10.308 1.00 0.00 O ATOM 0 H GLY A 77 -1.625 -2.791 12.127 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -3.504 -2.951 13.429 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -4.193 -1.517 12.693 1.00 0.00 H new ATOM 1214 N SER A 78 -5.372 -4.115 12.085 1.00 0.00 N ATOM 1215 CA SER A 78 -6.209 -5.070 11.356 1.00 0.00 C ATOM 1216 C SER A 78 -7.452 -4.378 10.758 1.00 0.00 C ATOM 1217 O SER A 78 -8.564 -4.924 10.738 1.00 0.00 O ATOM 1218 CB SER A 78 -6.526 -6.235 12.300 1.00 0.00 C ATOM 1219 OG SER A 78 -5.331 -6.782 12.831 1.00 0.00 O ATOM 0 H SER A 78 -5.554 -4.117 13.089 1.00 0.00 H new ATOM 0 HA SER A 78 -5.684 -5.475 10.491 1.00 0.00 H new ATOM 0 HB2 SER A 78 -7.167 -5.890 13.111 1.00 0.00 H new ATOM 0 HB3 SER A 78 -7.079 -7.006 11.763 1.00 0.00 H new ATOM 0 HG SER A 78 -5.550 -7.524 13.433 1.00 0.00 H new ATOM 1225 N LYS A 79 -7.251 -3.145 10.286 1.00 0.00 N ATOM 1226 CA LYS A 79 -8.188 -2.341 9.517 1.00 0.00 C ATOM 1227 C LYS A 79 -8.503 -2.961 8.169 1.00 0.00 C ATOM 1228 O LYS A 79 -7.862 -3.905 7.723 1.00 0.00 O ATOM 1229 CB LYS A 79 -7.657 -0.924 9.397 1.00 0.00 C ATOM 1230 CG LYS A 79 -6.313 -0.792 8.691 1.00 0.00 C ATOM 1231 CD LYS A 79 -6.388 0.248 7.597 1.00 0.00 C ATOM 1232 CE LYS A 79 -6.350 1.700 8.117 1.00 0.00 C ATOM 1233 NZ LYS A 79 -7.629 2.183 8.691 1.00 0.00 N ATOM 0 H LYS A 79 -6.370 -2.655 10.444 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.139 -2.307 10.048 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -8.391 -0.322 8.861 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -7.567 -0.501 10.398 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -5.543 -0.515 9.411 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -6.022 -1.753 8.267 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -5.558 0.097 6.907 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -7.306 0.099 7.029 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -5.573 1.780 8.877 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -6.063 2.358 7.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -7.546 3.194 8.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -8.393 2.047 7.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -7.846 1.647 9.556 1.00 0.00 H new ATOM 1247 N THR A 80 -9.487 -2.376 7.516 1.00 0.00 N ATOM 1248 CA THR A 80 -10.130 -2.875 6.313 1.00 0.00 C ATOM 1249 C THR A 80 -10.280 -1.760 5.282 1.00 0.00 C ATOM 1250 O THR A 80 -10.848 -1.976 4.210 1.00 0.00 O ATOM 1251 CB THR A 80 -11.471 -3.486 6.723 1.00 0.00 C ATOM 1252 OG1 THR A 80 -12.024 -2.736 7.804 1.00 0.00 O ATOM 1253 CG2 THR A 80 -11.263 -4.916 7.205 1.00 0.00 C ATOM 0 H THR A 80 -9.883 -1.489 7.827 1.00 0.00 H new ATOM 0 HA THR A 80 -9.524 -3.644 5.834 1.00 0.00 H new ATOM 0 HB THR A 80 -12.139 -3.471 5.862 1.00 0.00 H new ATOM 0 HG1 THR A 80 -12.884 -3.126 8.066 1.00 0.00 H new ATOM 0 HG21 THR A 80 -12.222 -5.345 7.495 1.00 0.00 H new ATOM 0 HG22 THR A 80 -10.827 -5.511 6.402 1.00 0.00 H new ATOM 0 HG23 THR A 80 -10.591 -4.917 8.063 1.00 0.00 H new ATOM 1261 N HIS A 81 -9.777 -0.559 5.596 1.00 0.00 N ATOM 1262 CA HIS A 81 -9.785 0.525 4.615 1.00 0.00 C ATOM 1263 C HIS A 81 -8.735 1.559 4.972 1.00 0.00 C ATOM 1264 O HIS A 81 -8.531 1.824 6.155 1.00 0.00 O ATOM 1265 CB HIS A 81 -11.167 1.188 4.505 1.00 0.00 C ATOM 1266 CG HIS A 81 -11.621 1.879 5.767 1.00 0.00 C ATOM 1267 ND1 HIS A 81 -11.524 3.229 6.002 1.00 0.00 N ATOM 1268 CD2 HIS A 81 -12.094 1.289 6.907 1.00 0.00 C ATOM 1269 CE1 HIS A 81 -11.880 3.456 7.272 1.00 0.00 C ATOM 1270 NE2 HIS A 81 -12.251 2.304 7.865 1.00 0.00 N ATOM 0 H HIS A 81 -9.369 -0.320 6.500 1.00 0.00 H new ATOM 0 HA HIS A 81 -9.550 0.092 3.643 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -11.146 1.915 3.693 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -11.902 0.429 4.235 1.00 0.00 H new ATOM 0 HD1 HIS A 81 -11.232 3.935 5.326 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -12.307 0.239 7.045 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -11.871 4.423 7.753 1.00 0.00 H new ATOM 1278 N GLY A 82 -8.060 2.126 3.980 1.00 0.00 N ATOM 1279 CA GLY A 82 -6.918 3.003 4.180 1.00 0.00 C ATOM 1280 C GLY A 82 -6.899 4.098 3.130 1.00 0.00 C ATOM 1281 O GLY A 82 -7.170 3.843 1.956 1.00 0.00 O ATOM 0 H GLY A 82 -8.297 1.986 2.998 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.962 3.446 5.175 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -5.995 2.425 4.129 1.00 0.00 H new ATOM 1285 N MET A 83 -6.574 5.312 3.568 1.00 0.00 N ATOM 1286 CA MET A 83 -6.598 6.503 2.745 1.00 0.00 C ATOM 1287 C MET A 83 -5.379 6.555 1.827 1.00 0.00 C ATOM 1288 O MET A 83 -4.341 5.961 2.111 1.00 0.00 O ATOM 1289 CB MET A 83 -6.610 7.745 3.649 1.00 0.00 C ATOM 1290 CG MET A 83 -7.669 7.650 4.753 1.00 0.00 C ATOM 1291 SD MET A 83 -8.043 9.199 5.599 1.00 0.00 S ATOM 1292 CE MET A 83 -9.112 9.904 4.326 1.00 0.00 C ATOM 0 H MET A 83 -6.281 5.491 4.528 1.00 0.00 H new ATOM 0 HA MET A 83 -7.496 6.481 2.127 1.00 0.00 H new ATOM 0 HB2 MET A 83 -5.627 7.872 4.102 1.00 0.00 H new ATOM 0 HB3 MET A 83 -6.799 8.631 3.043 1.00 0.00 H new ATOM 0 HG2 MET A 83 -8.590 7.261 4.318 1.00 0.00 H new ATOM 0 HG3 MET A 83 -7.334 6.923 5.493 1.00 0.00 H new ATOM 0 HE1 MET A 83 -8.737 10.886 4.039 1.00 0.00 H new ATOM 0 HE2 MET A 83 -9.120 9.250 3.454 1.00 0.00 H new ATOM 0 HE3 MET A 83 -10.125 10.002 4.715 1.00 0.00 H new ATOM 1302 N LEU A 84 -5.445 7.387 0.796 1.00 0.00 N ATOM 1303 CA LEU A 84 -4.327 7.757 -0.051 1.00 0.00 C ATOM 1304 C LEU A 84 -4.254 9.284 -0.077 1.00 0.00 C ATOM 1305 O LEU A 84 -4.826 9.877 -0.983 1.00 0.00 O ATOM 1306 CB LEU A 84 -4.530 7.151 -1.455 1.00 0.00 C ATOM 1307 CG LEU A 84 -3.703 5.907 -1.774 1.00 0.00 C ATOM 1308 CD1 LEU A 84 -2.212 6.225 -1.836 1.00 0.00 C ATOM 1309 CD2 LEU A 84 -3.927 4.705 -0.857 1.00 0.00 C ATOM 0 H LEU A 84 -6.316 7.839 0.519 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.382 7.369 0.329 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.585 6.902 -1.572 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.299 7.916 -2.196 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.072 5.605 -2.754 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.655 5.316 -2.065 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.030 6.967 -2.613 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.884 6.619 -0.874 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.289 3.880 -1.176 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.680 4.979 0.169 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.971 4.397 -0.909 1.00 0.00 H new ATOM 1321 N PRO A 85 -3.635 9.941 0.920 1.00 0.00 N ATOM 1322 CA PRO A 85 -3.516 11.395 0.955 1.00 0.00 C ATOM 1323 C PRO A 85 -2.230 11.877 0.276 1.00 0.00 C ATOM 1324 O PRO A 85 -1.211 11.178 0.294 1.00 0.00 O ATOM 1325 CB PRO A 85 -3.469 11.720 2.451 1.00 0.00 C ATOM 1326 CG PRO A 85 -2.688 10.535 3.029 1.00 0.00 C ATOM 1327 CD PRO A 85 -3.134 9.358 2.158 1.00 0.00 C ATOM 0 HA PRO A 85 -4.335 11.883 0.426 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -2.967 12.668 2.644 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -4.468 11.795 2.881 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -1.612 10.695 2.968 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -2.927 10.371 4.080 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -2.303 8.681 1.962 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -3.909 8.775 2.656 1.00 0.00 H new ATOM 1335 N GLY A 86 -2.237 13.112 -0.230 1.00 0.00 N ATOM 1336 CA GLY A 86 -1.058 13.720 -0.844 1.00 0.00 C ATOM 1337 C GLY A 86 -0.837 13.246 -2.272 1.00 0.00 C ATOM 1338 O GLY A 86 0.308 13.173 -2.714 1.00 0.00 O ATOM 0 H GLY A 86 -3.059 13.716 -0.225 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -1.167 14.805 -0.837 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -0.178 13.484 -0.246 1.00 0.00 H new ATOM 1342 N LEU A 87 -1.920 12.880 -2.956 1.00 0.00 N ATOM 1343 CA LEU A 87 -1.930 12.433 -4.341 1.00 0.00 C ATOM 1344 C LEU A 87 -2.189 13.646 -5.241 1.00 0.00 C ATOM 1345 O LEU A 87 -2.311 14.777 -4.759 1.00 0.00 O ATOM 1346 CB LEU A 87 -2.992 11.318 -4.477 1.00 0.00 C ATOM 1347 CG LEU A 87 -2.528 9.919 -4.015 1.00 0.00 C ATOM 1348 CD1 LEU A 87 -1.511 9.290 -4.963 1.00 0.00 C ATOM 1349 CD2 LEU A 87 -1.913 9.902 -2.613 1.00 0.00 C ATOM 0 H LEU A 87 -2.851 12.889 -2.540 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.975 12.009 -4.652 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.872 11.602 -3.900 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.301 11.256 -5.520 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.451 9.339 -4.009 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.222 8.309 -4.587 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -1.954 9.183 -5.953 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.630 9.928 -5.027 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.612 8.885 -2.360 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.041 10.555 -2.590 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.648 10.253 -1.889 1.00 0.00 H new ATOM 1361 N GLU A 88 -2.282 13.434 -6.552 1.00 0.00 N ATOM 1362 CA GLU A 88 -2.481 14.489 -7.529 1.00 0.00 C ATOM 1363 C GLU A 88 -3.671 14.117 -8.432 1.00 0.00 C ATOM 1364 O GLU A 88 -3.821 12.940 -8.773 1.00 0.00 O ATOM 1365 CB GLU A 88 -1.136 14.752 -8.232 1.00 0.00 C ATOM 1366 CG GLU A 88 -1.165 14.705 -9.762 1.00 0.00 C ATOM 1367 CD GLU A 88 0.144 15.197 -10.392 1.00 0.00 C ATOM 1368 OE1 GLU A 88 0.881 15.989 -9.756 1.00 0.00 O ATOM 1369 OE2 GLU A 88 0.480 14.755 -11.512 1.00 0.00 O ATOM 0 H GLU A 88 -2.219 12.505 -6.967 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.765 15.444 -7.086 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -0.772 15.732 -7.924 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -0.413 14.017 -7.878 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -1.358 13.683 -10.087 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -1.991 15.317 -10.125 1.00 0.00 H new ATOM 1376 N PRO A 89 -4.531 15.087 -8.784 1.00 0.00 N ATOM 1377 CA PRO A 89 -5.774 14.850 -9.498 1.00 0.00 C ATOM 1378 C PRO A 89 -5.558 14.534 -10.982 1.00 0.00 C ATOM 1379 O PRO A 89 -4.432 14.560 -11.494 1.00 0.00 O ATOM 1380 CB PRO A 89 -6.599 16.121 -9.309 1.00 0.00 C ATOM 1381 CG PRO A 89 -5.608 17.221 -8.945 1.00 0.00 C ATOM 1382 CD PRO A 89 -4.356 16.497 -8.490 1.00 0.00 C ATOM 0 HA PRO A 89 -6.283 13.970 -9.104 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -7.142 16.372 -10.220 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -7.341 15.990 -8.522 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -5.402 17.864 -9.801 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -6.002 17.860 -8.155 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -3.479 16.889 -9.005 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -4.193 16.648 -7.423 1.00 0.00 H new ATOM 1390 N PHE A 90 -6.675 14.276 -11.670 1.00 0.00 N ATOM 1391 CA PHE A 90 -6.831 14.009 -13.096 1.00 0.00 C ATOM 1392 C PHE A 90 -5.887 12.917 -13.622 1.00 0.00 C ATOM 1393 O PHE A 90 -5.597 12.853 -14.817 1.00 0.00 O ATOM 1394 CB PHE A 90 -6.776 15.338 -13.872 1.00 0.00 C ATOM 1395 CG PHE A 90 -7.370 15.290 -15.273 1.00 0.00 C ATOM 1396 CD1 PHE A 90 -8.706 14.883 -15.474 1.00 0.00 C ATOM 1397 CD2 PHE A 90 -6.590 15.666 -16.384 1.00 0.00 C ATOM 1398 CE1 PHE A 90 -9.258 14.869 -16.766 1.00 0.00 C ATOM 1399 CE2 PHE A 90 -7.141 15.642 -17.677 1.00 0.00 C ATOM 1400 CZ PHE A 90 -8.475 15.248 -17.869 1.00 0.00 C ATOM 0 H PHE A 90 -7.576 14.247 -11.193 1.00 0.00 H new ATOM 0 HA PHE A 90 -7.815 13.573 -13.266 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -7.302 16.099 -13.296 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -5.736 15.656 -13.945 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -9.308 14.580 -14.630 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -5.565 15.974 -16.242 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -10.285 14.567 -16.911 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -6.537 15.927 -18.525 1.00 0.00 H new ATOM 0 HZ PHE A 90 -8.898 15.236 -18.863 1.00 0.00 H new ATOM 1410 N SER A 91 -5.417 12.042 -12.736 1.00 0.00 N ATOM 1411 CA SER A 91 -4.396 11.045 -12.997 1.00 0.00 C ATOM 1412 C SER A 91 -4.924 9.648 -12.678 1.00 0.00 C ATOM 1413 O SER A 91 -5.859 9.487 -11.878 1.00 0.00 O ATOM 1414 CB SER A 91 -3.171 11.373 -12.144 1.00 0.00 C ATOM 1415 OG SER A 91 -2.686 12.667 -12.440 1.00 0.00 O ATOM 0 H SER A 91 -5.757 12.012 -11.775 1.00 0.00 H new ATOM 0 HA SER A 91 -4.120 11.059 -14.051 1.00 0.00 H new ATOM 0 HB2 SER A 91 -3.430 11.310 -11.087 1.00 0.00 H new ATOM 0 HB3 SER A 91 -2.388 10.636 -12.325 1.00 0.00 H new ATOM 0 HG SER A 91 -3.315 13.338 -12.101 1.00 0.00 H new ATOM 1421 N HIS A 92 -4.306 8.640 -13.295 1.00 0.00 N ATOM 1422 CA HIS A 92 -4.589 7.235 -13.064 1.00 0.00 C ATOM 1423 C HIS A 92 -3.559 6.716 -12.059 1.00 0.00 C ATOM 1424 O HIS A 92 -2.434 7.212 -11.996 1.00 0.00 O ATOM 1425 CB HIS A 92 -4.525 6.487 -14.414 1.00 0.00 C ATOM 1426 CG HIS A 92 -5.332 5.208 -14.519 1.00 0.00 C ATOM 1427 ND1 HIS A 92 -5.280 4.304 -15.564 1.00 0.00 N ATOM 1428 CD2 HIS A 92 -6.347 4.802 -13.695 1.00 0.00 C ATOM 1429 CE1 HIS A 92 -6.227 3.372 -15.360 1.00 0.00 C ATOM 1430 NE2 HIS A 92 -6.884 3.620 -14.215 1.00 0.00 N ATOM 0 H HIS A 92 -3.574 8.790 -13.989 1.00 0.00 H new ATOM 0 HA HIS A 92 -5.586 7.077 -12.652 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -4.861 7.167 -15.197 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -3.482 6.250 -14.623 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -6.676 5.307 -12.799 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -6.430 2.543 -16.022 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -7.629 3.057 -13.805 1.00 0.00 H new ATOM 1438 N TYR A 93 -3.925 5.702 -11.281 1.00 0.00 N ATOM 1439 CA TYR A 93 -3.062 5.107 -10.273 1.00 0.00 C ATOM 1440 C TYR A 93 -3.278 3.606 -10.250 1.00 0.00 C ATOM 1441 O TYR A 93 -4.350 3.130 -10.631 1.00 0.00 O ATOM 1442 CB TYR A 93 -3.396 5.706 -8.903 1.00 0.00 C ATOM 1443 CG TYR A 93 -3.027 7.171 -8.788 1.00 0.00 C ATOM 1444 CD1 TYR A 93 -1.693 7.524 -8.518 1.00 0.00 C ATOM 1445 CD2 TYR A 93 -3.993 8.177 -8.984 1.00 0.00 C ATOM 1446 CE1 TYR A 93 -1.316 8.872 -8.437 1.00 0.00 C ATOM 1447 CE2 TYR A 93 -3.621 9.532 -8.919 1.00 0.00 C ATOM 1448 CZ TYR A 93 -2.277 9.881 -8.653 1.00 0.00 C ATOM 1449 OH TYR A 93 -1.896 11.182 -8.591 1.00 0.00 O ATOM 0 H TYR A 93 -4.845 5.265 -11.336 1.00 0.00 H new ATOM 0 HA TYR A 93 -2.018 5.314 -10.510 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -4.463 5.590 -8.713 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -2.872 5.144 -8.130 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -0.953 6.751 -8.372 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -5.020 7.908 -9.184 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -0.294 9.136 -8.210 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -4.360 10.304 -9.072 1.00 0.00 H new ATOM 0 HH TYR A 93 -2.623 11.752 -8.918 1.00 0.00 H new ATOM 1459 N THR A 94 -2.281 2.867 -9.773 1.00 0.00 N ATOM 1460 CA THR A 94 -2.384 1.451 -9.446 1.00 0.00 C ATOM 1461 C THR A 94 -1.910 1.312 -8.005 1.00 0.00 C ATOM 1462 O THR A 94 -0.870 1.883 -7.675 1.00 0.00 O ATOM 1463 CB THR A 94 -1.504 0.630 -10.404 1.00 0.00 C ATOM 1464 OG1 THR A 94 -1.716 1.039 -11.739 1.00 0.00 O ATOM 1465 CG2 THR A 94 -1.768 -0.877 -10.335 1.00 0.00 C ATOM 0 H THR A 94 -1.352 3.250 -9.599 1.00 0.00 H new ATOM 0 HA THR A 94 -3.404 1.080 -9.552 1.00 0.00 H new ATOM 0 HB THR A 94 -0.478 0.814 -10.086 1.00 0.00 H new ATOM 0 HG1 THR A 94 -1.415 1.965 -11.849 1.00 0.00 H new ATOM 0 HG21 THR A 94 -1.113 -1.394 -11.036 1.00 0.00 H new ATOM 0 HG22 THR A 94 -1.572 -1.235 -9.324 1.00 0.00 H new ATOM 0 HG23 THR A 94 -2.808 -1.077 -10.595 1.00 0.00 H new ATOM 1473 N LEU A 95 -2.603 0.540 -7.168 1.00 0.00 N ATOM 1474 CA LEU A 95 -2.186 0.150 -5.824 1.00 0.00 C ATOM 1475 C LEU A 95 -2.456 -1.340 -5.607 1.00 0.00 C ATOM 1476 O LEU A 95 -3.178 -1.970 -6.380 1.00 0.00 O ATOM 1477 CB LEU A 95 -2.823 1.033 -4.740 1.00 0.00 C ATOM 1478 CG LEU A 95 -4.358 1.078 -4.545 1.00 0.00 C ATOM 1479 CD1 LEU A 95 -5.182 1.069 -5.827 1.00 0.00 C ATOM 1480 CD2 LEU A 95 -4.840 -0.094 -3.680 1.00 0.00 C ATOM 0 H LEU A 95 -3.512 0.152 -7.422 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.112 0.312 -5.735 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -2.389 0.730 -3.787 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.496 2.055 -4.929 1.00 0.00 H new ATOM 0 HG LEU A 95 -4.523 2.040 -4.059 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -6.243 1.103 -5.578 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -4.923 1.938 -6.432 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -4.970 0.160 -6.389 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.922 -0.037 -3.560 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -4.578 -1.035 -4.164 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -4.363 -0.044 -2.701 1.00 0.00 H new ATOM 1492 N ASN A 96 -1.887 -1.905 -4.544 1.00 0.00 N ATOM 1493 CA ASN A 96 -1.903 -3.322 -4.192 1.00 0.00 C ATOM 1494 C ASN A 96 -1.818 -3.394 -2.660 1.00 0.00 C ATOM 1495 O ASN A 96 -1.242 -2.487 -2.057 1.00 0.00 O ATOM 1496 CB ASN A 96 -0.751 -4.144 -4.854 1.00 0.00 C ATOM 1497 CG ASN A 96 0.265 -3.507 -5.804 1.00 0.00 C ATOM 1498 OD1 ASN A 96 0.714 -4.161 -6.740 1.00 0.00 O ATOM 1499 ND2 ASN A 96 0.739 -2.300 -5.587 1.00 0.00 N ATOM 0 H ASN A 96 -1.370 -1.349 -3.863 1.00 0.00 H new ATOM 0 HA ASN A 96 -2.819 -3.775 -4.571 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -0.181 -4.594 -4.041 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -1.223 -4.960 -5.402 1.00 0.00 H new ATOM 0 HD21 ASN A 96 1.468 -1.922 -6.192 1.00 0.00 H new ATOM 0 HD22 ASN A 96 0.378 -1.742 -4.814 1.00 0.00 H new ATOM 1506 N VAL A 97 -2.335 -4.446 -2.014 1.00 0.00 N ATOM 1507 CA VAL A 97 -2.346 -4.611 -0.555 1.00 0.00 C ATOM 1508 C VAL A 97 -1.597 -5.901 -0.207 1.00 0.00 C ATOM 1509 O VAL A 97 -1.778 -6.923 -0.863 1.00 0.00 O ATOM 1510 CB VAL A 97 -3.792 -4.608 0.007 1.00 0.00 C ATOM 1511 CG1 VAL A 97 -3.767 -4.470 1.534 1.00 0.00 C ATOM 1512 CG2 VAL A 97 -4.630 -3.433 -0.523 1.00 0.00 C ATOM 0 H VAL A 97 -2.769 -5.228 -2.505 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.841 -3.767 -0.086 1.00 0.00 H new ATOM 0 HB VAL A 97 -4.238 -5.550 -0.312 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -4.788 -4.469 1.916 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.219 -5.307 1.966 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -3.277 -3.535 1.807 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -5.632 -3.480 -0.098 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -4.159 -2.492 -0.238 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -4.694 -3.492 -1.610 1.00 0.00 H new ATOM 1522 N ARG A 98 -0.761 -5.869 0.833 1.00 0.00 N ATOM 1523 CA ARG A 98 0.052 -6.990 1.302 1.00 0.00 C ATOM 1524 C ARG A 98 -0.053 -7.059 2.795 1.00 0.00 C ATOM 1525 O ARG A 98 0.061 -6.059 3.491 1.00 0.00 O ATOM 1526 CB ARG A 98 1.494 -6.757 0.830 1.00 0.00 C ATOM 1527 CG ARG A 98 2.538 -7.690 1.482 1.00 0.00 C ATOM 1528 CD ARG A 98 3.919 -7.559 0.816 1.00 0.00 C ATOM 1529 NE ARG A 98 4.038 -8.423 -0.366 1.00 0.00 N ATOM 1530 CZ ARG A 98 4.142 -8.050 -1.648 1.00 0.00 C ATOM 1531 NH1 ARG A 98 4.216 -6.767 -1.996 1.00 0.00 N ATOM 1532 NH2 ARG A 98 4.146 -8.974 -2.597 1.00 0.00 N ATOM 0 H ARG A 98 -0.628 -5.027 1.393 1.00 0.00 H new ATOM 0 HA ARG A 98 -0.290 -7.943 0.900 1.00 0.00 H new ATOM 0 HB2 ARG A 98 1.535 -6.886 -0.252 1.00 0.00 H new ATOM 0 HB3 ARG A 98 1.769 -5.723 1.038 1.00 0.00 H new ATOM 0 HG2 ARG A 98 2.623 -7.455 2.543 1.00 0.00 H new ATOM 0 HG3 ARG A 98 2.197 -8.723 1.411 1.00 0.00 H new ATOM 0 HD2 ARG A 98 4.086 -6.522 0.526 1.00 0.00 H new ATOM 0 HD3 ARG A 98 4.696 -7.818 1.535 1.00 0.00 H new ATOM 0 HE ARG A 98 4.042 -9.428 -0.189 1.00 0.00 H new ATOM 0 HH11 ARG A 98 4.194 -6.042 -1.279 1.00 0.00 H new ATOM 0 HH12 ARG A 98 4.295 -6.509 -2.980 1.00 0.00 H new ATOM 0 HH21 ARG A 98 4.070 -9.960 -2.349 1.00 0.00 H new ATOM 0 HH22 ARG A 98 4.225 -8.699 -3.576 1.00 0.00 H new ATOM 1546 N VAL A 99 -0.318 -8.259 3.250 1.00 0.00 N ATOM 1547 CA VAL A 99 -0.414 -8.682 4.616 1.00 0.00 C ATOM 1548 C VAL A 99 0.994 -8.676 5.213 1.00 0.00 C ATOM 1549 O VAL A 99 1.967 -9.082 4.568 1.00 0.00 O ATOM 1550 CB VAL A 99 -1.108 -10.060 4.514 1.00 0.00 C ATOM 1551 CG1 VAL A 99 -0.319 -11.211 5.075 1.00 0.00 C ATOM 1552 CG2 VAL A 99 -2.560 -10.033 4.944 1.00 0.00 C ATOM 0 H VAL A 99 -0.487 -9.033 2.608 1.00 0.00 H new ATOM 0 HA VAL A 99 -0.991 -8.048 5.289 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.130 -10.273 3.445 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -0.888 -12.133 4.958 1.00 0.00 H new ATOM 0 HG12 VAL A 99 0.627 -11.298 4.541 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -0.124 -11.037 6.133 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.987 -11.031 4.848 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -2.626 -9.709 5.983 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -3.114 -9.339 4.311 1.00 0.00 H new ATOM 1562 N VAL A 100 1.084 -8.232 6.460 1.00 0.00 N ATOM 1563 CA VAL A 100 2.306 -8.167 7.237 1.00 0.00 C ATOM 1564 C VAL A 100 1.945 -8.691 8.624 1.00 0.00 C ATOM 1565 O VAL A 100 0.871 -8.367 9.146 1.00 0.00 O ATOM 1566 CB VAL A 100 2.782 -6.703 7.269 1.00 0.00 C ATOM 1567 CG1 VAL A 100 4.091 -6.559 8.054 1.00 0.00 C ATOM 1568 CG2 VAL A 100 3.002 -6.125 5.860 1.00 0.00 C ATOM 0 H VAL A 100 0.271 -7.894 6.975 1.00 0.00 H new ATOM 0 HA VAL A 100 3.120 -8.761 6.821 1.00 0.00 H new ATOM 0 HB VAL A 100 1.985 -6.145 7.761 1.00 0.00 H new ATOM 0 HG11 VAL A 100 4.400 -5.514 8.058 1.00 0.00 H new ATOM 0 HG12 VAL A 100 3.939 -6.896 9.079 1.00 0.00 H new ATOM 0 HG13 VAL A 100 4.866 -7.165 7.584 1.00 0.00 H new ATOM 0 HG21 VAL A 100 3.337 -5.091 5.939 1.00 0.00 H new ATOM 0 HG22 VAL A 100 3.758 -6.713 5.340 1.00 0.00 H new ATOM 0 HG23 VAL A 100 2.067 -6.162 5.302 1.00 0.00 H new ATOM 1578 N ASN A 101 2.811 -9.500 9.229 1.00 0.00 N ATOM 1579 CA ASN A 101 2.625 -10.023 10.573 1.00 0.00 C ATOM 1580 C ASN A 101 3.925 -9.960 11.369 1.00 0.00 C ATOM 1581 O ASN A 101 4.895 -9.360 10.912 1.00 0.00 O ATOM 1582 CB ASN A 101 2.017 -11.441 10.525 1.00 0.00 C ATOM 1583 CG ASN A 101 3.017 -12.568 10.268 1.00 0.00 C ATOM 1584 OD1 ASN A 101 4.222 -12.393 10.166 1.00 0.00 O ATOM 1585 ND2 ASN A 101 2.528 -13.778 10.171 1.00 0.00 N ATOM 0 H ASN A 101 3.676 -9.814 8.788 1.00 0.00 H new ATOM 0 HA ASN A 101 1.911 -9.392 11.102 1.00 0.00 H new ATOM 0 HB2 ASN A 101 1.511 -11.634 11.471 1.00 0.00 H new ATOM 0 HB3 ASN A 101 1.256 -11.467 9.745 1.00 0.00 H new ATOM 0 HD21 ASN A 101 3.152 -14.569 10.011 1.00 0.00 H new ATOM 0 HD22 ASN A 101 1.523 -13.930 10.255 1.00 0.00 H new ATOM 1592 N GLY A 102 3.902 -10.498 12.593 1.00 0.00 N ATOM 1593 CA GLY A 102 4.991 -10.370 13.543 1.00 0.00 C ATOM 1594 C GLY A 102 6.296 -10.965 13.029 1.00 0.00 C ATOM 1595 O GLY A 102 7.361 -10.474 13.409 1.00 0.00 O ATOM 0 H GLY A 102 3.113 -11.039 12.947 1.00 0.00 H new ATOM 0 HA2 GLY A 102 5.144 -9.316 13.774 1.00 0.00 H new ATOM 0 HA3 GLY A 102 4.714 -10.863 14.475 1.00 0.00 H new ATOM 1599 N LYS A 103 6.205 -11.993 12.178 1.00 0.00 N ATOM 1600 CA LYS A 103 7.334 -12.667 11.564 1.00 0.00 C ATOM 1601 C LYS A 103 7.823 -11.899 10.333 1.00 0.00 C ATOM 1602 O LYS A 103 9.036 -11.806 10.129 1.00 0.00 O ATOM 1603 CB LYS A 103 6.923 -14.119 11.217 1.00 0.00 C ATOM 1604 CG LYS A 103 8.111 -15.054 10.963 1.00 0.00 C ATOM 1605 CD LYS A 103 8.862 -15.332 12.265 1.00 0.00 C ATOM 1606 CE LYS A 103 10.102 -16.187 12.028 1.00 0.00 C ATOM 1607 NZ LYS A 103 11.032 -16.037 13.160 1.00 0.00 N ATOM 0 H LYS A 103 5.308 -12.386 11.894 1.00 0.00 H new ATOM 0 HA LYS A 103 8.170 -12.700 12.263 1.00 0.00 H new ATOM 0 HB2 LYS A 103 6.323 -14.522 12.033 1.00 0.00 H new ATOM 0 HB3 LYS A 103 6.288 -14.105 10.331 1.00 0.00 H new ATOM 0 HG2 LYS A 103 7.758 -15.991 10.533 1.00 0.00 H new ATOM 0 HG3 LYS A 103 8.787 -14.604 10.236 1.00 0.00 H new ATOM 0 HD2 LYS A 103 9.153 -14.388 12.726 1.00 0.00 H new ATOM 0 HD3 LYS A 103 8.199 -15.838 12.967 1.00 0.00 H new ATOM 0 HE2 LYS A 103 9.818 -17.233 11.914 1.00 0.00 H new ATOM 0 HE3 LYS A 103 10.591 -15.887 11.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 11.876 -16.621 12.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 11.313 -15.040 13.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 10.564 -16.344 14.037 1.00 0.00 H new ATOM 1621 N GLY A 104 6.913 -11.361 9.515 1.00 0.00 N ATOM 1622 CA GLY A 104 7.251 -10.685 8.274 1.00 0.00 C ATOM 1623 C GLY A 104 6.072 -10.642 7.308 1.00 0.00 C ATOM 1624 O GLY A 104 4.913 -10.826 7.685 1.00 0.00 O ATOM 0 H GLY A 104 5.911 -11.387 9.705 1.00 0.00 H new ATOM 0 HA2 GLY A 104 7.578 -9.668 8.492 1.00 0.00 H new ATOM 0 HA3 GLY A 104 8.090 -11.195 7.800 1.00 0.00 H new ATOM 1628 N GLU A 105 6.354 -10.310 6.051 1.00 0.00 N ATOM 1629 CA GLU A 105 5.354 -10.137 5.011 1.00 0.00 C ATOM 1630 C GLU A 105 4.983 -11.452 4.332 1.00 0.00 C ATOM 1631 O GLU A 105 5.782 -12.391 4.258 1.00 0.00 O ATOM 1632 CB GLU A 105 5.877 -9.171 3.947 1.00 0.00 C ATOM 1633 CG GLU A 105 6.266 -7.808 4.521 1.00 0.00 C ATOM 1634 CD GLU A 105 7.765 -7.695 4.794 1.00 0.00 C ATOM 1635 OE1 GLU A 105 8.238 -8.242 5.819 1.00 0.00 O ATOM 1636 OE2 GLU A 105 8.447 -6.996 4.013 1.00 0.00 O ATOM 0 H GLU A 105 7.307 -10.151 5.724 1.00 0.00 H new ATOM 0 HA GLU A 105 4.461 -9.741 5.494 1.00 0.00 H new ATOM 0 HB2 GLU A 105 6.744 -9.614 3.456 1.00 0.00 H new ATOM 0 HB3 GLU A 105 5.113 -9.033 3.182 1.00 0.00 H new ATOM 0 HG2 GLU A 105 5.967 -7.025 3.824 1.00 0.00 H new ATOM 0 HG3 GLU A 105 5.717 -7.637 5.447 1.00 0.00 H new ATOM 1643 N GLY A 106 3.792 -11.469 3.736 1.00 0.00 N ATOM 1644 CA GLY A 106 3.287 -12.551 2.909 1.00 0.00 C ATOM 1645 C GLY A 106 2.962 -12.058 1.498 1.00 0.00 C ATOM 1646 O GLY A 106 3.518 -11.047 1.048 1.00 0.00 O ATOM 0 H GLY A 106 3.131 -10.697 3.823 1.00 0.00 H new ATOM 0 HA2 GLY A 106 4.027 -13.350 2.857 1.00 0.00 H new ATOM 0 HA3 GLY A 106 2.392 -12.975 3.365 1.00 0.00 H new ATOM 1650 N PRO A 107 2.094 -12.776 0.769 1.00 0.00 N ATOM 1651 CA PRO A 107 1.703 -12.380 -0.573 1.00 0.00 C ATOM 1652 C PRO A 107 0.897 -11.089 -0.566 1.00 0.00 C ATOM 1653 O PRO A 107 0.395 -10.615 0.460 1.00 0.00 O ATOM 1654 CB PRO A 107 0.885 -13.554 -1.125 1.00 0.00 C ATOM 1655 CG PRO A 107 0.294 -14.180 0.127 1.00 0.00 C ATOM 1656 CD PRO A 107 1.387 -13.983 1.176 1.00 0.00 C ATOM 0 HA PRO A 107 2.573 -12.172 -1.196 1.00 0.00 H new ATOM 0 HB2 PRO A 107 0.109 -13.217 -1.812 1.00 0.00 H new ATOM 0 HB3 PRO A 107 1.511 -14.260 -1.672 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -0.635 -13.691 0.419 1.00 0.00 H new ATOM 0 HG3 PRO A 107 0.066 -15.236 -0.022 1.00 0.00 H new ATOM 0 HD2 PRO A 107 0.961 -13.872 2.173 1.00 0.00 H new ATOM 0 HD3 PRO A 107 2.059 -14.840 1.210 1.00 0.00 H new ATOM 1664 N ALA A 108 0.768 -10.552 -1.771 1.00 0.00 N ATOM 1665 CA ALA A 108 -0.096 -9.442 -2.081 1.00 0.00 C ATOM 1666 C ALA A 108 -1.369 -9.965 -2.748 1.00 0.00 C ATOM 1667 O ALA A 108 -1.369 -11.039 -3.360 1.00 0.00 O ATOM 1668 CB ALA A 108 0.674 -8.508 -3.006 1.00 0.00 C ATOM 0 H ALA A 108 1.283 -10.895 -2.581 1.00 0.00 H new ATOM 0 HA ALA A 108 -0.392 -8.900 -1.183 1.00 0.00 H new ATOM 0 HB1 ALA A 108 0.049 -7.653 -3.263 1.00 0.00 H new ATOM 0 HB2 ALA A 108 1.576 -8.160 -2.503 1.00 0.00 H new ATOM 0 HB3 ALA A 108 0.949 -9.042 -3.915 1.00 0.00 H new ATOM 1674 N SER A 109 -2.449 -9.203 -2.613 1.00 0.00 N ATOM 1675 CA SER A 109 -3.740 -9.422 -3.274 1.00 0.00 C ATOM 1676 C SER A 109 -3.637 -9.139 -4.794 1.00 0.00 C ATOM 1677 O SER A 109 -2.538 -8.820 -5.260 1.00 0.00 O ATOM 1678 CB SER A 109 -4.737 -8.492 -2.591 1.00 0.00 C ATOM 1679 OG SER A 109 -4.646 -8.522 -1.196 1.00 0.00 O ATOM 0 H SER A 109 -2.453 -8.378 -2.014 1.00 0.00 H new ATOM 0 HA SER A 109 -4.062 -10.459 -3.183 1.00 0.00 H new ATOM 0 HB2 SER A 109 -4.571 -7.472 -2.938 1.00 0.00 H new ATOM 0 HB3 SER A 109 -5.748 -8.770 -2.890 1.00 0.00 H new ATOM 0 HG SER A 109 -5.545 -8.483 -0.809 1.00 0.00 H new ATOM 1685 N PRO A 110 -4.713 -9.170 -5.608 1.00 0.00 N ATOM 1686 CA PRO A 110 -4.616 -8.632 -6.957 1.00 0.00 C ATOM 1687 C PRO A 110 -4.450 -7.113 -6.891 1.00 0.00 C ATOM 1688 O PRO A 110 -4.768 -6.484 -5.876 1.00 0.00 O ATOM 1689 CB PRO A 110 -5.903 -9.030 -7.671 1.00 0.00 C ATOM 1690 CG PRO A 110 -6.915 -9.321 -6.563 1.00 0.00 C ATOM 1691 CD PRO A 110 -6.113 -9.355 -5.263 1.00 0.00 C ATOM 0 HA PRO A 110 -3.753 -9.022 -7.497 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -6.254 -8.229 -8.322 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -5.747 -9.907 -8.300 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -7.686 -8.552 -6.526 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -7.421 -10.271 -6.735 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -6.448 -8.570 -4.585 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -6.259 -10.304 -4.747 1.00 0.00 H new ATOM 1699 N ASP A 111 -3.971 -6.522 -7.985 1.00 0.00 N ATOM 1700 CA ASP A 111 -3.842 -5.077 -8.096 1.00 0.00 C ATOM 1701 C ASP A 111 -5.233 -4.454 -8.130 1.00 0.00 C ATOM 1702 O ASP A 111 -6.231 -5.084 -8.509 1.00 0.00 O ATOM 1703 CB ASP A 111 -3.108 -4.640 -9.377 1.00 0.00 C ATOM 1704 CG ASP A 111 -2.017 -5.589 -9.845 1.00 0.00 C ATOM 1705 OD1 ASP A 111 -2.340 -6.555 -10.577 1.00 0.00 O ATOM 1706 OD2 ASP A 111 -0.831 -5.352 -9.543 1.00 0.00 O ATOM 0 H ASP A 111 -3.664 -7.032 -8.813 1.00 0.00 H new ATOM 0 HA ASP A 111 -3.262 -4.744 -7.235 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -3.840 -4.528 -10.177 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -2.667 -3.658 -9.208 1.00 0.00 H new ATOM 1711 N ARG A 112 -5.292 -3.158 -7.860 1.00 0.00 N ATOM 1712 CA ARG A 112 -6.448 -2.316 -8.099 1.00 0.00 C ATOM 1713 C ARG A 112 -5.982 -1.058 -8.800 1.00 0.00 C ATOM 1714 O ARG A 112 -4.805 -0.695 -8.732 1.00 0.00 O ATOM 1715 CB ARG A 112 -7.099 -1.963 -6.759 1.00 0.00 C ATOM 1716 CG ARG A 112 -8.126 -3.002 -6.296 1.00 0.00 C ATOM 1717 CD ARG A 112 -9.469 -2.757 -6.975 1.00 0.00 C ATOM 1718 NE ARG A 112 -10.461 -3.784 -6.668 1.00 0.00 N ATOM 1719 CZ ARG A 112 -11.711 -3.893 -7.132 1.00 0.00 C ATOM 1720 NH1 ARG A 112 -12.211 -3.015 -7.992 1.00 0.00 N ATOM 1721 NH2 ARG A 112 -12.454 -4.895 -6.695 1.00 0.00 N ATOM 0 H ARG A 112 -4.507 -2.649 -7.454 1.00 0.00 H new ATOM 0 HA ARG A 112 -7.179 -2.833 -8.720 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -6.323 -1.865 -6.000 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -7.587 -0.992 -6.844 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -7.770 -4.005 -6.531 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -8.243 -2.950 -5.214 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -9.854 -1.785 -6.666 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -9.321 -2.714 -8.054 1.00 0.00 H new ATOM 0 HE ARG A 112 -10.163 -4.510 -6.017 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -11.639 -2.234 -8.314 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -13.167 -3.121 -8.331 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -12.070 -5.559 -6.022 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -13.411 -5.004 -7.030 1.00 0.00 H new ATOM 1735 N VAL A 113 -6.923 -0.353 -9.412 1.00 0.00 N ATOM 1736 CA VAL A 113 -6.678 0.959 -9.977 1.00 0.00 C ATOM 1737 C VAL A 113 -7.741 1.913 -9.466 1.00 0.00 C ATOM 1738 O VAL A 113 -8.831 1.488 -9.062 1.00 0.00 O ATOM 1739 CB VAL A 113 -6.585 0.908 -11.513 1.00 0.00 C ATOM 1740 CG1 VAL A 113 -5.620 -0.190 -11.975 1.00 0.00 C ATOM 1741 CG2 VAL A 113 -7.938 0.703 -12.179 1.00 0.00 C ATOM 0 H VAL A 113 -7.882 -0.680 -9.529 1.00 0.00 H new ATOM 0 HA VAL A 113 -5.706 1.331 -9.652 1.00 0.00 H new ATOM 0 HB VAL A 113 -6.204 1.882 -11.821 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -5.576 -0.201 -13.064 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -4.626 0.007 -11.574 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -5.971 -1.158 -11.616 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -7.810 0.675 -13.261 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -8.371 -0.238 -11.840 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -8.603 1.525 -11.913 1.00 0.00 H new ATOM 1751 N PHE A 114 -7.434 3.202 -9.535 1.00 0.00 N ATOM 1752 CA PHE A 114 -8.408 4.266 -9.442 1.00 0.00 C ATOM 1753 C PHE A 114 -7.910 5.410 -10.308 1.00 0.00 C ATOM 1754 O PHE A 114 -6.699 5.631 -10.413 1.00 0.00 O ATOM 1755 CB PHE A 114 -8.615 4.699 -7.982 1.00 0.00 C ATOM 1756 CG PHE A 114 -7.382 5.171 -7.224 1.00 0.00 C ATOM 1757 CD1 PHE A 114 -6.513 4.214 -6.676 1.00 0.00 C ATOM 1758 CD2 PHE A 114 -7.135 6.541 -6.988 1.00 0.00 C ATOM 1759 CE1 PHE A 114 -5.448 4.609 -5.856 1.00 0.00 C ATOM 1760 CE2 PHE A 114 -6.074 6.936 -6.147 1.00 0.00 C ATOM 1761 CZ PHE A 114 -5.250 5.962 -5.556 1.00 0.00 C ATOM 0 H PHE A 114 -6.479 3.537 -9.660 1.00 0.00 H new ATOM 0 HA PHE A 114 -9.382 3.930 -9.797 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -9.351 5.503 -7.967 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -9.048 3.860 -7.437 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -6.667 3.166 -6.888 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -7.760 7.289 -7.453 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -4.776 3.866 -5.453 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -5.895 7.984 -5.957 1.00 0.00 H new ATOM 0 HZ PHE A 114 -4.467 6.257 -4.873 1.00 0.00 H new ATOM 1771 N ASN A 115 -8.830 6.152 -10.913 1.00 0.00 N ATOM 1772 CA ASN A 115 -8.560 7.411 -11.572 1.00 0.00 C ATOM 1773 C ASN A 115 -9.252 8.504 -10.760 1.00 0.00 C ATOM 1774 O ASN A 115 -10.310 8.266 -10.172 1.00 0.00 O ATOM 1775 CB ASN A 115 -9.034 7.344 -13.025 1.00 0.00 C ATOM 1776 CG ASN A 115 -10.539 7.496 -13.160 1.00 0.00 C ATOM 1777 OD1 ASN A 115 -11.049 8.615 -13.187 1.00 0.00 O ATOM 1778 ND2 ASN A 115 -11.251 6.383 -13.205 1.00 0.00 N ATOM 0 H ASN A 115 -9.812 5.880 -10.956 1.00 0.00 H new ATOM 0 HA ASN A 115 -7.494 7.634 -11.614 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -8.541 8.128 -13.600 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -8.729 6.391 -13.458 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -12.268 6.430 -13.265 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -10.783 5.477 -13.180 1.00 0.00 H new ATOM 1785 N THR A 116 -8.623 9.671 -10.686 1.00 0.00 N ATOM 1786 CA THR A 116 -9.015 10.765 -9.797 1.00 0.00 C ATOM 1787 C THR A 116 -9.897 11.775 -10.550 1.00 0.00 C ATOM 1788 O THR A 116 -9.856 11.792 -11.786 1.00 0.00 O ATOM 1789 CB THR A 116 -7.732 11.392 -9.206 1.00 0.00 C ATOM 1790 OG1 THR A 116 -6.706 11.522 -10.175 1.00 0.00 O ATOM 1791 CG2 THR A 116 -7.170 10.543 -8.061 1.00 0.00 C ATOM 0 H THR A 116 -7.806 9.891 -11.255 1.00 0.00 H new ATOM 0 HA THR A 116 -9.623 10.400 -8.969 1.00 0.00 H new ATOM 0 HB THR A 116 -8.028 12.377 -8.844 1.00 0.00 H new ATOM 0 HG1 THR A 116 -5.914 11.924 -9.761 1.00 0.00 H new ATOM 0 HG21 THR A 116 -6.268 11.013 -7.668 1.00 0.00 H new ATOM 0 HG22 THR A 116 -7.913 10.465 -7.267 1.00 0.00 H new ATOM 0 HG23 THR A 116 -6.928 9.547 -8.431 1.00 0.00 H new ATOM 1799 N PRO A 117 -10.681 12.634 -9.865 1.00 0.00 N ATOM 1800 CA PRO A 117 -11.424 13.678 -10.549 1.00 0.00 C ATOM 1801 C PRO A 117 -10.441 14.736 -11.053 1.00 0.00 C ATOM 1802 O PRO A 117 -9.272 14.747 -10.662 1.00 0.00 O ATOM 1803 CB PRO A 117 -12.410 14.220 -9.515 1.00 0.00 C ATOM 1804 CG PRO A 117 -11.678 14.033 -8.187 1.00 0.00 C ATOM 1805 CD PRO A 117 -10.730 12.860 -8.427 1.00 0.00 C ATOM 0 HA PRO A 117 -11.969 13.327 -11.425 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -12.647 15.268 -9.698 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -13.352 13.672 -9.534 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -11.131 14.933 -7.907 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -12.376 13.819 -7.377 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -9.736 13.083 -8.038 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -11.082 11.968 -7.909 1.00 0.00 H new ATOM 1813 N GLU A 118 -10.915 15.645 -11.900 1.00 0.00 N ATOM 1814 CA GLU A 118 -10.085 16.652 -12.555 1.00 0.00 C ATOM 1815 C GLU A 118 -9.411 17.590 -11.546 1.00 0.00 C ATOM 1816 O GLU A 118 -8.296 18.061 -11.749 1.00 0.00 O ATOM 1817 CB GLU A 118 -10.974 17.401 -13.538 1.00 0.00 C ATOM 1818 CG GLU A 118 -10.204 18.400 -14.394 1.00 0.00 C ATOM 1819 CD GLU A 118 -11.159 19.116 -15.348 1.00 0.00 C ATOM 1820 OE1 GLU A 118 -12.054 18.463 -15.933 1.00 0.00 O ATOM 1821 OE2 GLU A 118 -11.125 20.365 -15.396 1.00 0.00 O ATOM 0 H GLU A 118 -11.901 15.704 -12.155 1.00 0.00 H new ATOM 0 HA GLU A 118 -9.262 16.174 -13.087 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -11.473 16.683 -14.188 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -11.753 17.928 -12.987 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -9.702 19.127 -13.756 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -9.429 17.884 -14.961 1.00 0.00 H new ATOM 1828 N GLY A 119 -10.074 17.785 -10.417 1.00 0.00 N ATOM 1829 CA GLY A 119 -9.520 18.327 -9.195 1.00 0.00 C ATOM 1830 C GLY A 119 -9.549 19.838 -9.079 1.00 0.00 C ATOM 1831 O GLY A 119 -8.634 20.406 -8.480 1.00 0.00 O ATOM 0 H GLY A 119 -11.064 17.556 -10.328 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -10.065 17.905 -8.351 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -8.486 17.993 -9.106 1.00 0.00 H new ATOM 1835 N SER A 120 -10.614 20.477 -9.559 1.00 0.00 N ATOM 1836 CA SER A 120 -10.851 21.880 -9.267 1.00 0.00 C ATOM 1837 C SER A 120 -10.934 22.092 -7.749 1.00 0.00 C ATOM 1838 O SER A 120 -11.407 21.211 -7.017 1.00 0.00 O ATOM 1839 CB SER A 120 -12.148 22.324 -9.946 1.00 0.00 C ATOM 1840 OG SER A 120 -12.096 23.701 -10.252 1.00 0.00 O ATOM 0 H SER A 120 -11.322 20.042 -10.150 1.00 0.00 H new ATOM 0 HA SER A 120 -10.026 22.480 -9.651 1.00 0.00 H new ATOM 0 HB2 SER A 120 -12.304 21.748 -10.858 1.00 0.00 H new ATOM 0 HB3 SER A 120 -12.996 22.122 -9.292 1.00 0.00 H new ATOM 0 HG SER A 120 -12.931 23.971 -10.687 1.00 0.00 H new ATOM 1846 N GLY A 121 -10.518 23.270 -7.284 1.00 0.00 N ATOM 1847 CA GLY A 121 -10.729 23.730 -5.924 1.00 0.00 C ATOM 1848 C GLY A 121 -12.073 24.452 -5.862 1.00 0.00 C ATOM 1849 O GLY A 121 -12.182 25.522 -6.462 1.00 0.00 O ATOM 0 H GLY A 121 -10.013 23.942 -7.862 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -10.719 22.887 -5.233 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -9.924 24.400 -5.621 1.00 0.00 H new ATOM 1853 N PRO A 122 -13.111 23.907 -5.207 1.00 0.00 N ATOM 1854 CA PRO A 122 -14.421 24.541 -5.167 1.00 0.00 C ATOM 1855 C PRO A 122 -14.358 25.848 -4.370 1.00 0.00 C ATOM 1856 O PRO A 122 -14.016 25.839 -3.180 1.00 0.00 O ATOM 1857 CB PRO A 122 -15.350 23.504 -4.528 1.00 0.00 C ATOM 1858 CG PRO A 122 -14.423 22.641 -3.675 1.00 0.00 C ATOM 1859 CD PRO A 122 -13.122 22.651 -4.471 1.00 0.00 C ATOM 0 HA PRO A 122 -14.784 24.823 -6.155 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -16.120 23.980 -3.921 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -15.863 22.910 -5.284 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -14.289 23.057 -2.676 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -14.813 21.631 -3.550 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -12.259 22.579 -3.809 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -13.074 21.800 -5.151 1.00 0.00 H new ATOM 1867 N SER A 123 -14.712 26.965 -5.004 1.00 0.00 N ATOM 1868 CA SER A 123 -15.004 28.234 -4.354 1.00 0.00 C ATOM 1869 C SER A 123 -16.520 28.400 -4.320 1.00 0.00 C ATOM 1870 O SER A 123 -17.223 27.993 -5.252 1.00 0.00 O ATOM 1871 CB SER A 123 -14.356 29.366 -5.160 1.00 0.00 C ATOM 1872 OG SER A 123 -14.463 30.633 -4.523 1.00 0.00 O ATOM 0 H SER A 123 -14.805 27.009 -6.019 1.00 0.00 H new ATOM 0 HA SER A 123 -14.608 28.261 -3.339 1.00 0.00 H new ATOM 0 HB2 SER A 123 -13.303 29.134 -5.320 1.00 0.00 H new ATOM 0 HB3 SER A 123 -14.824 29.419 -6.143 1.00 0.00 H new ATOM 0 HG SER A 123 -15.403 30.907 -4.496 1.00 0.00 H new ATOM 1878 N SER A 124 -17.038 29.030 -3.270 1.00 0.00 N ATOM 1879 CA SER A 124 -18.381 29.586 -3.305 1.00 0.00 C ATOM 1880 C SER A 124 -18.383 30.858 -4.157 1.00 0.00 C ATOM 1881 O SER A 124 -17.321 31.416 -4.462 1.00 0.00 O ATOM 1882 CB SER A 124 -18.829 29.907 -1.877 1.00 0.00 C ATOM 1883 OG SER A 124 -18.823 28.727 -1.097 1.00 0.00 O ATOM 0 H SER A 124 -16.547 29.167 -2.387 1.00 0.00 H new ATOM 0 HA SER A 124 -19.071 28.865 -3.744 1.00 0.00 H new ATOM 0 HB2 SER A 124 -18.164 30.649 -1.435 1.00 0.00 H new ATOM 0 HB3 SER A 124 -19.829 30.341 -1.889 1.00 0.00 H new ATOM 0 HG SER A 124 -19.109 28.937 -0.183 1.00 0.00 H new ATOM 1889 N GLY A 125 -19.592 31.328 -4.451 1.00 0.00 N ATOM 1890 CA GLY A 125 -19.959 32.705 -4.715 1.00 0.00 C ATOM 1891 C GLY A 125 -21.275 32.942 -3.986 1.00 0.00 C ATOM 1892 O GLY A 125 -21.714 34.100 -3.898 1.00 0.00 O ATOM 0 H GLY A 125 -20.397 30.705 -4.514 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -19.188 33.388 -4.359 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -20.070 32.880 -5.785 1.00 0.00 H new TER 1896 GLY A 125