USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 771 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 -20 HIS :FLIP no HE2:sc= 0.249 F(o=0.78,f=1.3) USER MOD Set 1.2: A -26 TYR OH : rot 1:sc= 1.05 USER MOD Set 2.1: A 38 LYS NZ :NH3+ 160:sc= 0.499 (180deg=-1.09!) USER MOD Set 2.2: A 78 SER OG : rot 171:sc= -0.526! USER MOD Set 3.1: A 69 ASN : amide:sc= 1.02 K(o=2.4,f=-0.026) USER MOD Set 3.2: A 71 SER OG : rot -55:sc= 1.39 USER MOD Set 4.1: A 60 LYS NZ :NH3+ 170:sc= 2.82 (180deg=1.5) USER MOD Set 4.2: A 65 SER OG : rot 88:sc= 1.23 USER MOD Set 5.1: A 24 THR OG1 : rot -20:sc= 0.444 USER MOD Set 5.2: A 44 SER OG : rot 180:sc= -0.545 USER MOD Set 6.1: A 29 ASN : amide:sc= -2.77! C(o=-2!,f=-10!) USER MOD Set 6.2: A -10 ASN : amide:sc= 0.785 K(o=-2,f=-10) USER MOD Set 7.1: A 26 TYR OH : rot 31:sc= 0.628 USER MOD Set 7.2: A 40 GLN : amide:sc= -5.17! C(o=-4.5!,f=-9!) USER MOD Set 8.1: A 19 TYR OH : rot -22:sc= -2.51! USER MOD Set 8.2: A 43 SER OG : rot -84:sc= 1.25 USER MOD Set 9.1: A 6 HIS : no HE2:sc= 0.749 K(o=0.75,f=-2.3!) USER MOD Set 9.2: A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 84:sc= 1.2 USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -3 MET CE :methyl -150:sc= -6.43! (180deg=-9.86!) USER MOD Single : A -6 GLN : amide:sc= -0.868 X(o=-0.87,f=-0.91) USER MOD Single : A -8 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0.0151 X(o=0.015,f=0) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 GLN : amide:sc= 0.461 K(o=0.46,f=-8.7!) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 HIS : no HD1:sc= 0.436 K(o=0.44,f=-3.3!) USER MOD Single : A 45 GLN : amide:sc= 0.234 K(o=0.23,f=-4.9!) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 MET CE :methyl 162:sc= -0.0671 (180deg=-0.795) USER MOD Single : A 61 SER OG : rot 180:sc= 0.0158 USER MOD Single : A 72 SER OG : rot 180:sc= 0.206 USER MOD Single : A 73 SER OG : rot 180:sc= 0.0002 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A -12 THR OG1 : rot 180:sc= 0.185 USER MOD Single : A -13 THR OG1 : rot 180:sc= -0.0201 USER MOD Single : A -17 TYR OH : rot -63:sc= 1.44 USER MOD Single : A -19 HIS : no HE2:sc= -2.12 K(o=-2.1,f=-4!) USER MOD Single : A -21 HIS : no HD1:sc=-0.00757 X(o=-0.0076,f=-0.2) USER MOD Single : A -22 HIS : no HD1:sc= -0.124 X(o=-0.12,f=-0.012) USER MOD Single : A -23 HIS : no HE2:sc= -3.47! C(o=-3.5!,f=-6.4!) USER MOD Single : A -24 HIS : no HE2:sc= -0.652 K(o=-0.65,f=-7.2!) USER MOD Single : A -25 TYR OH : rot 180:sc= 0 USER MOD Single : A -27 SER N :NH3+ 169:sc= 2.6 (180deg=2.25) USER MOD Single : A -27 SER OG : rot 180:sc= 0.123 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A -27 -1.741 -12.132 10.237 1.00 0.00 N ATOM 2 CA SER A -27 -1.314 -11.352 11.434 1.00 0.00 C ATOM 3 C SER A -27 -0.064 -12.000 12.054 1.00 0.00 C ATOM 4 O SER A -27 0.161 -13.189 11.908 1.00 0.00 O ATOM 5 CB SER A -27 -2.497 -11.420 12.408 1.00 0.00 C ATOM 6 OG SER A -27 -3.720 -11.572 11.681 1.00 0.00 O ATOM 0 H1 SER A -27 -2.681 -11.810 9.930 1.00 0.00 H new ATOM 0 H2 SER A -27 -1.057 -11.988 9.467 1.00 0.00 H new ATOM 0 H3 SER A -27 -1.782 -13.143 10.478 1.00 0.00 H new ATOM 0 HA SER A -27 -1.058 -10.321 11.189 1.00 0.00 H new ATOM 0 HB2 SER A -27 -2.366 -12.256 13.095 1.00 0.00 H new ATOM 0 HB3 SER A -27 -2.534 -10.514 13.013 1.00 0.00 H new ATOM 0 HG SER A -27 -4.471 -11.616 12.309 1.00 0.00 H new ATOM 14 N TYR A -26 0.746 -11.234 12.741 1.00 0.00 N ATOM 15 CA TYR A -26 1.980 -11.807 13.363 1.00 0.00 C ATOM 16 C TYR A -26 1.633 -12.506 14.684 1.00 0.00 C ATOM 17 O TYR A -26 1.769 -11.935 15.756 1.00 0.00 O ATOM 18 CB TYR A -26 2.904 -10.606 13.612 1.00 0.00 C ATOM 19 CG TYR A -26 3.734 -10.318 12.375 1.00 0.00 C ATOM 20 CD1 TYR A -26 4.373 -11.363 11.692 1.00 0.00 C ATOM 21 CD2 TYR A -26 3.864 -9.002 11.916 1.00 0.00 C ATOM 22 CE1 TYR A -26 5.138 -11.088 10.551 1.00 0.00 C ATOM 23 CE2 TYR A -26 4.632 -8.731 10.778 1.00 0.00 C ATOM 24 CZ TYR A -26 5.268 -9.771 10.097 1.00 0.00 C ATOM 25 OH TYR A -26 6.032 -9.499 8.985 1.00 0.00 O ATOM 0 H TYR A -26 0.606 -10.236 12.898 1.00 0.00 H new ATOM 0 HA TYR A -26 2.453 -12.553 12.724 1.00 0.00 H new ATOM 0 HB2 TYR A -26 2.311 -9.730 13.873 1.00 0.00 H new ATOM 0 HB3 TYR A -26 3.559 -10.811 14.459 1.00 0.00 H new ATOM 0 HD1 TYR A -26 4.275 -12.379 12.045 1.00 0.00 H new ATOM 0 HD2 TYR A -26 3.372 -8.196 12.440 1.00 0.00 H new ATOM 0 HE1 TYR A -26 5.627 -11.892 10.022 1.00 0.00 H new ATOM 0 HE2 TYR A -26 4.733 -7.715 10.426 1.00 0.00 H new ATOM 0 HH TYR A -26 6.398 -10.335 8.627 1.00 0.00 H new ATOM 35 N TYR A -25 1.183 -13.733 14.613 1.00 0.00 N ATOM 36 CA TYR A -25 0.823 -14.500 15.850 1.00 0.00 C ATOM 37 C TYR A -25 0.479 -15.943 15.463 1.00 0.00 C ATOM 38 O TYR A -25 0.889 -16.410 14.420 1.00 0.00 O ATOM 39 CB TYR A -25 -0.401 -13.782 16.432 1.00 0.00 C ATOM 40 CG TYR A -25 -0.247 -13.653 17.930 1.00 0.00 C ATOM 41 CD1 TYR A -25 0.915 -13.086 18.474 1.00 0.00 C ATOM 42 CD2 TYR A -25 -1.264 -14.106 18.775 1.00 0.00 C ATOM 43 CE1 TYR A -25 1.056 -12.974 19.860 1.00 0.00 C ATOM 44 CE2 TYR A -25 -1.122 -13.994 20.162 1.00 0.00 C ATOM 45 CZ TYR A -25 0.038 -13.428 20.705 1.00 0.00 C ATOM 46 OH TYR A -25 0.180 -13.319 22.072 1.00 0.00 O ATOM 0 H TYR A -25 1.047 -14.244 13.741 1.00 0.00 H new ATOM 0 HA TYR A -25 1.636 -14.540 16.575 1.00 0.00 H new ATOM 0 HB2 TYR A -25 -0.505 -12.795 15.981 1.00 0.00 H new ATOM 0 HB3 TYR A -25 -1.308 -14.338 16.196 1.00 0.00 H new ATOM 0 HD1 TYR A -25 1.701 -12.736 17.821 1.00 0.00 H new ATOM 0 HD2 TYR A -25 -2.159 -14.542 18.357 1.00 0.00 H new ATOM 0 HE1 TYR A -25 1.951 -12.537 20.278 1.00 0.00 H new ATOM 0 HE2 TYR A -25 -1.908 -14.344 20.815 1.00 0.00 H new ATOM 0 HH TYR A -25 -0.617 -13.680 22.513 1.00 0.00 H new ATOM 56 N HIS A -24 -0.271 -16.652 16.278 1.00 0.00 N ATOM 57 CA HIS A -24 -0.639 -18.066 15.920 1.00 0.00 C ATOM 58 C HIS A -24 -1.261 -18.088 14.515 1.00 0.00 C ATOM 59 O HIS A -24 -2.434 -17.810 14.333 1.00 0.00 O ATOM 60 CB HIS A -24 -1.655 -18.555 16.977 1.00 0.00 C ATOM 61 CG HIS A -24 -2.615 -17.456 17.374 1.00 0.00 C ATOM 62 ND1 HIS A -24 -3.254 -16.646 16.444 1.00 0.00 N ATOM 63 CD2 HIS A -24 -3.049 -17.026 18.601 1.00 0.00 C ATOM 64 CE1 HIS A -24 -4.028 -15.779 17.124 1.00 0.00 C ATOM 65 NE2 HIS A -24 -3.941 -15.968 18.443 1.00 0.00 N ATOM 0 H HIS A -24 -0.642 -16.318 17.168 1.00 0.00 H new ATOM 0 HA HIS A -24 0.235 -18.717 15.912 1.00 0.00 H new ATOM 0 HB2 HIS A -24 -2.214 -19.402 16.581 1.00 0.00 H new ATOM 0 HB3 HIS A -24 -1.122 -18.910 17.859 1.00 0.00 H new ATOM 0 HD1 HIS A -24 -3.155 -16.698 15.430 1.00 0.00 H new ATOM 0 HD2 HIS A -24 -2.745 -17.445 19.549 1.00 0.00 H new ATOM 0 HE1 HIS A -24 -4.644 -15.023 16.659 1.00 0.00 H new ATOM 73 N HIS A -23 -0.467 -18.373 13.517 1.00 0.00 N ATOM 74 CA HIS A -23 -0.978 -18.373 12.113 1.00 0.00 C ATOM 75 C HIS A -23 0.121 -18.863 11.162 1.00 0.00 C ATOM 76 O HIS A -23 1.265 -19.013 11.558 1.00 0.00 O ATOM 77 CB HIS A -23 -1.312 -16.893 11.851 1.00 0.00 C ATOM 78 CG HIS A -23 -1.698 -16.673 10.418 1.00 0.00 C ATOM 79 ND1 HIS A -23 -0.762 -16.476 9.415 1.00 0.00 N ATOM 80 CD2 HIS A -23 -2.922 -16.605 9.808 1.00 0.00 C ATOM 81 CE1 HIS A -23 -1.437 -16.302 8.267 1.00 0.00 C ATOM 82 NE2 HIS A -23 -2.756 -16.369 8.450 1.00 0.00 N ATOM 0 H HIS A -23 0.521 -18.608 13.614 1.00 0.00 H new ATOM 0 HA HIS A -23 -1.836 -19.027 11.961 1.00 0.00 H new ATOM 0 HB2 HIS A -23 -2.128 -16.580 12.503 1.00 0.00 H new ATOM 0 HB3 HIS A -23 -0.450 -16.273 12.098 1.00 0.00 H new ATOM 0 HD1 HIS A -23 0.252 -16.465 9.528 1.00 0.00 H new ATOM 0 HD2 HIS A -23 -3.873 -16.718 10.308 1.00 0.00 H new ATOM 0 HE1 HIS A -23 -0.967 -16.129 7.310 1.00 0.00 H new ATOM 90 N HIS A -22 -0.208 -19.105 9.915 1.00 0.00 N ATOM 91 CA HIS A -22 0.827 -19.567 8.934 1.00 0.00 C ATOM 92 C HIS A -22 1.990 -18.569 8.897 1.00 0.00 C ATOM 93 O HIS A -22 1.812 -17.389 9.159 1.00 0.00 O ATOM 94 CB HIS A -22 0.126 -19.603 7.573 1.00 0.00 C ATOM 95 CG HIS A -22 -0.675 -20.866 7.435 1.00 0.00 C ATOM 96 ND1 HIS A -22 -1.748 -20.963 6.563 1.00 0.00 N ATOM 97 CD2 HIS A -22 -0.580 -22.090 8.050 1.00 0.00 C ATOM 98 CE1 HIS A -22 -2.252 -22.205 6.678 1.00 0.00 C ATOM 99 NE2 HIS A -22 -1.575 -22.933 7.569 1.00 0.00 N ATOM 0 H HIS A -22 -1.148 -19.003 9.534 1.00 0.00 H new ATOM 0 HA HIS A -22 1.233 -20.542 9.203 1.00 0.00 H new ATOM 0 HB2 HIS A -22 -0.527 -18.736 7.469 1.00 0.00 H new ATOM 0 HB3 HIS A -22 0.865 -19.543 6.774 1.00 0.00 H new ATOM 0 HD2 HIS A -22 0.156 -22.357 8.794 1.00 0.00 H new ATOM 0 HE1 HIS A -22 -3.101 -22.569 6.118 1.00 0.00 H new ATOM 0 HE2 HIS A -22 -1.750 -23.901 7.839 1.00 0.00 H new ATOM 107 N HIS A -21 3.172 -19.030 8.588 1.00 0.00 N ATOM 108 CA HIS A -21 4.359 -18.115 8.550 1.00 0.00 C ATOM 109 C HIS A -21 4.285 -17.160 7.351 1.00 0.00 C ATOM 110 O HIS A -21 4.204 -17.581 6.211 1.00 0.00 O ATOM 111 CB HIS A -21 5.587 -19.031 8.441 1.00 0.00 C ATOM 112 CG HIS A -21 5.725 -19.863 9.691 1.00 0.00 C ATOM 113 ND1 HIS A -21 5.256 -19.433 10.923 1.00 0.00 N ATOM 114 CD2 HIS A -21 6.288 -21.095 9.915 1.00 0.00 C ATOM 115 CE1 HIS A -21 5.544 -20.391 11.822 1.00 0.00 C ATOM 116 NE2 HIS A -21 6.173 -21.424 11.260 1.00 0.00 N ATOM 0 H HIS A -21 3.371 -20.004 8.359 1.00 0.00 H new ATOM 0 HA HIS A -21 4.402 -17.486 9.439 1.00 0.00 H new ATOM 0 HB2 HIS A -21 5.490 -19.681 7.571 1.00 0.00 H new ATOM 0 HB3 HIS A -21 6.485 -18.432 8.292 1.00 0.00 H new ATOM 0 HD2 HIS A -21 6.750 -21.714 9.160 1.00 0.00 H new ATOM 0 HE1 HIS A -21 5.296 -20.331 12.871 1.00 0.00 H new ATOM 0 HE2 HIS A -21 6.500 -22.274 11.719 1.00 0.00 H new ATOM 124 N HIS A -20 4.320 -15.876 7.621 1.00 0.00 N ATOM 125 CA HIS A -20 4.261 -14.832 6.541 1.00 0.00 C ATOM 126 C HIS A -20 3.164 -15.133 5.517 1.00 0.00 C ATOM 127 O HIS A -20 3.306 -14.856 4.340 1.00 0.00 O ATOM 128 CB HIS A -20 5.645 -14.825 5.888 1.00 0.00 C ATOM 129 CG HIS A -20 6.210 -13.436 5.980 1.00 0.00 C ATOM 130 ND1 HIS A -20 6.319 -12.417 5.060 1.00 0.00 N flip ATOM 131 CD2 HIS A -20 6.729 -12.931 7.162 1.00 0.00 C flip ATOM 132 CE1 HIS A -20 6.890 -11.301 5.663 1.00 0.00 C flip ATOM 133 NE2 HIS A -20 7.117 -11.665 6.929 1.00 0.00 N flip ATOM 0 H HIS A -20 4.389 -15.497 8.566 1.00 0.00 H new ATOM 0 HA HIS A -20 4.011 -13.856 6.956 1.00 0.00 H new ATOM 0 HB2 HIS A -20 6.303 -15.535 6.388 1.00 0.00 H new ATOM 0 HB3 HIS A -20 5.573 -15.136 4.846 1.00 0.00 H new ATOM 0 HD1 HIS A -20 6.026 -12.472 4.085 1.00 0.00 H new ATOM 0 HD2 HIS A -20 6.808 -13.459 8.101 1.00 0.00 H new ATOM 0 HE1 HIS A -20 7.104 -10.346 5.206 1.00 0.00 H new ATOM 141 N HIS A -19 2.058 -15.660 5.968 1.00 0.00 N ATOM 142 CA HIS A -19 0.914 -15.946 5.053 1.00 0.00 C ATOM 143 C HIS A -19 -0.270 -15.081 5.498 1.00 0.00 C ATOM 144 O HIS A -19 -1.421 -15.464 5.378 1.00 0.00 O ATOM 145 CB HIS A -19 0.611 -17.440 5.251 1.00 0.00 C ATOM 146 CG HIS A -19 -0.109 -18.004 4.051 1.00 0.00 C ATOM 147 ND1 HIS A -19 -0.968 -17.249 3.264 1.00 0.00 N ATOM 148 CD2 HIS A -19 -0.109 -19.260 3.502 1.00 0.00 C ATOM 149 CE1 HIS A -19 -1.446 -18.057 2.298 1.00 0.00 C ATOM 150 NE2 HIS A -19 -0.955 -19.294 2.399 1.00 0.00 N ATOM 0 H HIS A -19 1.896 -15.908 6.944 1.00 0.00 H new ATOM 0 HA HIS A -19 1.120 -15.727 4.005 1.00 0.00 H new ATOM 0 HB2 HIS A -19 1.540 -17.986 5.413 1.00 0.00 H new ATOM 0 HB3 HIS A -19 0.001 -17.577 6.144 1.00 0.00 H new ATOM 0 HD1 HIS A -19 -1.195 -16.263 3.394 1.00 0.00 H new ATOM 0 HD2 HIS A -19 0.463 -20.098 3.871 1.00 0.00 H new ATOM 0 HE1 HIS A -19 -2.142 -17.742 1.535 1.00 0.00 H new ATOM 158 N ASP A -18 0.027 -13.930 6.054 1.00 0.00 N ATOM 159 CA ASP A -18 -1.031 -13.014 6.579 1.00 0.00 C ATOM 160 C ASP A -18 -2.127 -12.744 5.549 1.00 0.00 C ATOM 161 O ASP A -18 -1.930 -12.009 4.599 1.00 0.00 O ATOM 162 CB ASP A -18 -0.304 -11.699 6.909 1.00 0.00 C ATOM 163 CG ASP A -18 0.833 -11.957 7.894 1.00 0.00 C ATOM 164 OD1 ASP A -18 1.920 -12.285 7.447 1.00 0.00 O ATOM 165 OD2 ASP A -18 0.601 -11.826 9.081 1.00 0.00 O ATOM 0 H ASP A -18 0.979 -13.582 6.167 1.00 0.00 H new ATOM 0 HA ASP A -18 -1.524 -13.460 7.443 1.00 0.00 H new ATOM 0 HB2 ASP A -18 0.091 -11.254 5.995 1.00 0.00 H new ATOM 0 HB3 ASP A -18 -1.007 -10.983 7.334 1.00 0.00 H new ATOM 170 N TYR A -17 -3.301 -13.288 5.757 1.00 0.00 N ATOM 171 CA TYR A -17 -4.421 -13.003 4.812 1.00 0.00 C ATOM 172 C TYR A -17 -4.959 -11.590 5.089 1.00 0.00 C ATOM 173 O TYR A -17 -5.753 -11.059 4.333 1.00 0.00 O ATOM 174 CB TYR A -17 -5.510 -14.052 5.078 1.00 0.00 C ATOM 175 CG TYR A -17 -6.479 -14.045 3.921 1.00 0.00 C ATOM 176 CD1 TYR A -17 -6.045 -14.436 2.650 1.00 0.00 C ATOM 177 CD2 TYR A -17 -7.804 -13.637 4.115 1.00 0.00 C ATOM 178 CE1 TYR A -17 -6.931 -14.414 1.571 1.00 0.00 C ATOM 179 CE2 TYR A -17 -8.692 -13.619 3.035 1.00 0.00 C ATOM 180 CZ TYR A -17 -8.256 -14.008 1.762 1.00 0.00 C ATOM 181 OH TYR A -17 -9.130 -13.977 0.696 1.00 0.00 O ATOM 0 H TYR A -17 -3.529 -13.910 6.532 1.00 0.00 H new ATOM 0 HA TYR A -17 -4.095 -13.050 3.773 1.00 0.00 H new ATOM 0 HB2 TYR A -17 -5.064 -15.040 5.192 1.00 0.00 H new ATOM 0 HB3 TYR A -17 -6.031 -13.829 6.009 1.00 0.00 H new ATOM 0 HD1 TYR A -17 -5.024 -14.755 2.503 1.00 0.00 H new ATOM 0 HD2 TYR A -17 -8.140 -13.337 5.097 1.00 0.00 H new ATOM 0 HE1 TYR A -17 -6.593 -14.710 0.589 1.00 0.00 H new ATOM 0 HE2 TYR A -17 -9.715 -13.305 3.182 1.00 0.00 H new ATOM 0 HH TYR A -17 -8.813 -13.330 0.032 1.00 0.00 H new ATOM 191 N ASP A -16 -4.520 -10.971 6.163 1.00 0.00 N ATOM 192 CA ASP A -16 -4.966 -9.599 6.499 1.00 0.00 C ATOM 193 C ASP A -16 -3.749 -8.673 6.408 1.00 0.00 C ATOM 194 O ASP A -16 -2.836 -8.920 5.638 1.00 0.00 O ATOM 195 CB ASP A -16 -5.496 -9.698 7.945 1.00 0.00 C ATOM 196 CG ASP A -16 -4.344 -9.942 8.929 1.00 0.00 C ATOM 197 OD1 ASP A -16 -3.671 -10.952 8.804 1.00 0.00 O ATOM 198 OD2 ASP A -16 -4.160 -9.122 9.810 1.00 0.00 O ATOM 0 H ASP A -16 -3.859 -11.376 6.826 1.00 0.00 H new ATOM 0 HA ASP A -16 -5.734 -9.205 5.834 1.00 0.00 H new ATOM 0 HB2 ASP A -16 -6.019 -8.779 8.210 1.00 0.00 H new ATOM 0 HB3 ASP A -16 -6.221 -10.509 8.017 1.00 0.00 H new ATOM 203 N ILE A -15 -3.712 -7.634 7.190 1.00 0.00 N ATOM 204 CA ILE A -15 -2.535 -6.717 7.164 1.00 0.00 C ATOM 205 C ILE A -15 -2.117 -6.385 8.601 1.00 0.00 C ATOM 206 O ILE A -15 -2.880 -5.784 9.343 1.00 0.00 O ATOM 207 CB ILE A -15 -2.977 -5.452 6.419 1.00 0.00 C ATOM 208 CG1 ILE A -15 -3.825 -5.822 5.197 1.00 0.00 C ATOM 209 CG2 ILE A -15 -1.732 -4.697 5.947 1.00 0.00 C ATOM 210 CD1 ILE A -15 -4.062 -4.583 4.336 1.00 0.00 C ATOM 0 H ILE A -15 -4.447 -7.377 7.849 1.00 0.00 H new ATOM 0 HA ILE A -15 -1.679 -7.172 6.665 1.00 0.00 H new ATOM 0 HB ILE A -15 -3.571 -4.831 7.090 1.00 0.00 H new ATOM 0 HG12 ILE A -15 -3.320 -6.591 4.612 1.00 0.00 H new ATOM 0 HG13 ILE A -15 -4.779 -6.240 5.518 1.00 0.00 H new ATOM 0 HG21 ILE A -15 -2.034 -3.795 5.415 1.00 0.00 H new ATOM 0 HG22 ILE A -15 -1.123 -4.424 6.809 1.00 0.00 H new ATOM 0 HG23 ILE A -15 -1.151 -5.334 5.280 1.00 0.00 H new ATOM 0 HD11 ILE A -15 -4.665 -4.852 3.469 1.00 0.00 H new ATOM 0 HD12 ILE A -15 -4.586 -3.828 4.922 1.00 0.00 H new ATOM 0 HD13 ILE A -15 -3.104 -4.184 4.002 1.00 0.00 H new ATOM 222 N PRO A -14 -0.920 -6.792 8.952 1.00 0.00 N ATOM 223 CA PRO A -14 -0.397 -6.541 10.319 1.00 0.00 C ATOM 224 C PRO A -14 -0.146 -5.047 10.539 1.00 0.00 C ATOM 225 O PRO A -14 0.975 -4.571 10.499 1.00 0.00 O ATOM 226 CB PRO A -14 0.883 -7.364 10.381 1.00 0.00 C ATOM 227 CG PRO A -14 1.307 -7.540 8.959 1.00 0.00 C ATOM 228 CD PRO A -14 0.055 -7.500 8.114 1.00 0.00 C ATOM 0 HA PRO A -14 -1.095 -6.826 11.106 1.00 0.00 H new ATOM 0 HB2 PRO A -14 1.652 -6.853 10.960 1.00 0.00 H new ATOM 0 HB3 PRO A -14 0.709 -8.327 10.862 1.00 0.00 H new ATOM 0 HG2 PRO A -14 1.997 -6.750 8.662 1.00 0.00 H new ATOM 0 HG3 PRO A -14 1.830 -8.487 8.827 1.00 0.00 H new ATOM 0 HD2 PRO A -14 0.226 -6.977 7.173 1.00 0.00 H new ATOM 0 HD3 PRO A -14 -0.289 -8.503 7.863 1.00 0.00 H new ATOM 236 N THR A -13 -1.194 -4.314 10.772 1.00 0.00 N ATOM 237 CA THR A -13 -1.068 -2.849 11.008 1.00 0.00 C ATOM 238 C THR A -13 -2.051 -2.436 12.114 1.00 0.00 C ATOM 239 O THR A -13 -3.243 -2.668 12.010 1.00 0.00 O ATOM 240 CB THR A -13 -1.415 -2.185 9.666 1.00 0.00 C ATOM 241 OG1 THR A -13 -2.713 -2.584 9.224 1.00 0.00 O ATOM 242 CG2 THR A -13 -0.378 -2.574 8.604 1.00 0.00 C ATOM 0 H THR A -13 -2.148 -4.672 10.810 1.00 0.00 H new ATOM 0 HA THR A -13 -0.071 -2.552 11.335 1.00 0.00 H new ATOM 0 HB THR A -13 -1.407 -1.105 9.810 1.00 0.00 H new ATOM 0 HG1 THR A -13 -2.915 -2.149 8.369 1.00 0.00 H new ATOM 0 HG21 THR A -13 -0.632 -2.099 7.656 1.00 0.00 H new ATOM 0 HG22 THR A -13 0.611 -2.243 8.922 1.00 0.00 H new ATOM 0 HG23 THR A -13 -0.375 -3.657 8.478 1.00 0.00 H new ATOM 250 N THR A -12 -1.569 -1.857 13.180 1.00 0.00 N ATOM 251 CA THR A -12 -2.484 -1.468 14.299 1.00 0.00 C ATOM 252 C THR A -12 -3.274 -0.193 13.957 1.00 0.00 C ATOM 253 O THR A -12 -4.427 -0.260 13.570 1.00 0.00 O ATOM 254 CB THR A -12 -1.576 -1.248 15.523 1.00 0.00 C ATOM 255 OG1 THR A -12 -0.204 -1.286 15.129 1.00 0.00 O ATOM 256 CG2 THR A -12 -1.830 -2.352 16.552 1.00 0.00 C ATOM 0 H THR A -12 -0.584 -1.636 13.327 1.00 0.00 H new ATOM 0 HA THR A -12 -3.230 -2.240 14.489 1.00 0.00 H new ATOM 0 HB THR A -12 -1.800 -0.274 15.959 1.00 0.00 H new ATOM 0 HG1 THR A -12 0.366 -1.143 15.914 1.00 0.00 H new ATOM 0 HG21 THR A -12 -1.187 -2.197 17.419 1.00 0.00 H new ATOM 0 HG22 THR A -12 -2.874 -2.325 16.865 1.00 0.00 H new ATOM 0 HG23 THR A -12 -1.610 -3.322 16.107 1.00 0.00 H new ATOM 264 N GLU A -11 -2.672 0.962 14.104 1.00 0.00 N ATOM 265 CA GLU A -11 -3.388 2.248 13.807 1.00 0.00 C ATOM 266 C GLU A -11 -3.935 2.281 12.378 1.00 0.00 C ATOM 267 O GLU A -11 -4.940 2.903 12.100 1.00 0.00 O ATOM 268 CB GLU A -11 -2.349 3.358 14.015 1.00 0.00 C ATOM 269 CG GLU A -11 -1.971 3.446 15.500 1.00 0.00 C ATOM 270 CD GLU A -11 -0.955 4.563 15.705 1.00 0.00 C ATOM 271 OE1 GLU A -11 0.224 4.290 15.600 1.00 0.00 O ATOM 272 OE2 GLU A -11 -1.372 5.675 15.964 1.00 0.00 O ATOM 0 H GLU A -11 -1.708 1.072 14.419 1.00 0.00 H new ATOM 0 HA GLU A -11 -4.253 2.369 14.459 1.00 0.00 H new ATOM 0 HB2 GLU A -11 -1.461 3.155 13.416 1.00 0.00 H new ATOM 0 HB3 GLU A -11 -2.751 4.313 13.676 1.00 0.00 H new ATOM 0 HG2 GLU A -11 -2.860 3.635 16.101 1.00 0.00 H new ATOM 0 HG3 GLU A -11 -1.555 2.496 15.836 1.00 0.00 H new ATOM 279 N ASN A -10 -3.285 1.630 11.479 1.00 0.00 N ATOM 280 CA ASN A -10 -3.755 1.635 10.057 1.00 0.00 C ATOM 281 C ASN A -10 -5.085 0.909 9.920 1.00 0.00 C ATOM 282 O ASN A -10 -5.983 1.353 9.235 1.00 0.00 O ATOM 283 CB ASN A -10 -2.660 0.930 9.249 1.00 0.00 C ATOM 284 CG ASN A -10 -2.065 1.906 8.230 1.00 0.00 C ATOM 285 OD1 ASN A -10 -2.749 2.364 7.335 1.00 0.00 O ATOM 286 ND2 ASN A -10 -0.814 2.257 8.332 1.00 0.00 N ATOM 0 H ASN A -10 -2.440 1.086 11.653 1.00 0.00 H new ATOM 0 HA ASN A -10 -3.921 2.651 9.698 1.00 0.00 H new ATOM 0 HB2 ASN A -10 -1.880 0.565 9.916 1.00 0.00 H new ATOM 0 HB3 ASN A -10 -3.074 0.061 8.737 1.00 0.00 H new ATOM 0 HD21 ASN A -10 -0.412 2.913 7.663 1.00 0.00 H new ATOM 0 HD22 ASN A -10 -0.237 1.875 9.081 1.00 0.00 H new ATOM 293 N LEU A -9 -5.203 -0.198 10.561 1.00 0.00 N ATOM 294 CA LEU A -9 -6.467 -0.988 10.483 1.00 0.00 C ATOM 295 C LEU A -9 -7.409 -0.654 11.645 1.00 0.00 C ATOM 296 O LEU A -9 -8.613 -0.626 11.480 1.00 0.00 O ATOM 297 CB LEU A -9 -6.029 -2.452 10.548 1.00 0.00 C ATOM 298 CG LEU A -9 -6.473 -3.170 9.271 1.00 0.00 C ATOM 299 CD1 LEU A -9 -5.677 -4.464 9.106 1.00 0.00 C ATOM 300 CD2 LEU A -9 -7.960 -3.508 9.365 1.00 0.00 C ATOM 0 H LEU A -9 -4.476 -0.607 11.148 1.00 0.00 H new ATOM 0 HA LEU A -9 -7.021 -0.764 9.572 1.00 0.00 H new ATOM 0 HB2 LEU A -9 -4.946 -2.515 10.657 1.00 0.00 H new ATOM 0 HB3 LEU A -9 -6.466 -2.936 11.422 1.00 0.00 H new ATOM 0 HG LEU A -9 -6.297 -2.519 8.415 1.00 0.00 H new ATOM 0 HD11 LEU A -9 -5.995 -4.973 8.196 1.00 0.00 H new ATOM 0 HD12 LEU A -9 -4.614 -4.231 9.039 1.00 0.00 H new ATOM 0 HD13 LEU A -9 -5.853 -5.112 9.965 1.00 0.00 H new ATOM 0 HD21 LEU A -9 -8.275 -4.019 8.455 1.00 0.00 H new ATOM 0 HD22 LEU A -9 -8.132 -4.157 10.224 1.00 0.00 H new ATOM 0 HD23 LEU A -9 -8.535 -2.590 9.483 1.00 0.00 H new ATOM 312 N TYR A -8 -6.882 -0.422 12.818 1.00 0.00 N ATOM 313 CA TYR A -8 -7.762 -0.117 13.995 1.00 0.00 C ATOM 314 C TYR A -8 -7.984 1.391 14.187 1.00 0.00 C ATOM 315 O TYR A -8 -8.602 1.812 15.147 1.00 0.00 O ATOM 316 CB TYR A -8 -7.049 -0.719 15.210 1.00 0.00 C ATOM 317 CG TYR A -8 -8.017 -1.580 15.986 1.00 0.00 C ATOM 318 CD1 TYR A -8 -9.136 -1.004 16.600 1.00 0.00 C ATOM 319 CD2 TYR A -8 -7.795 -2.957 16.088 1.00 0.00 C ATOM 320 CE1 TYR A -8 -10.032 -1.806 17.314 1.00 0.00 C ATOM 321 CE2 TYR A -8 -8.690 -3.759 16.802 1.00 0.00 C ATOM 322 CZ TYR A -8 -9.810 -3.185 17.414 1.00 0.00 C ATOM 323 OH TYR A -8 -10.696 -3.975 18.119 1.00 0.00 O ATOM 0 H TYR A -8 -5.882 -0.429 13.016 1.00 0.00 H new ATOM 0 HA TYR A -8 -8.756 -0.539 13.848 1.00 0.00 H new ATOM 0 HB2 TYR A -8 -6.195 -1.314 14.886 1.00 0.00 H new ATOM 0 HB3 TYR A -8 -6.660 0.075 15.847 1.00 0.00 H new ATOM 0 HD1 TYR A -8 -9.307 0.060 16.522 1.00 0.00 H new ATOM 0 HD2 TYR A -8 -6.932 -3.401 15.615 1.00 0.00 H new ATOM 0 HE1 TYR A -8 -10.895 -1.362 17.788 1.00 0.00 H new ATOM 0 HE2 TYR A -8 -8.517 -4.822 16.881 1.00 0.00 H new ATOM 0 HH TYR A -8 -10.397 -4.908 18.090 1.00 0.00 H new ATOM 333 N PHE A -7 -7.494 2.199 13.297 1.00 0.00 N ATOM 334 CA PHE A -7 -7.691 3.679 13.429 1.00 0.00 C ATOM 335 C PHE A -7 -7.927 4.303 12.052 1.00 0.00 C ATOM 336 O PHE A -7 -8.884 5.023 11.847 1.00 0.00 O ATOM 337 CB PHE A -7 -6.401 4.225 14.058 1.00 0.00 C ATOM 338 CG PHE A -7 -6.724 5.441 14.894 1.00 0.00 C ATOM 339 CD1 PHE A -7 -7.078 6.644 14.271 1.00 0.00 C ATOM 340 CD2 PHE A -7 -6.677 5.364 16.289 1.00 0.00 C ATOM 341 CE1 PHE A -7 -7.381 7.770 15.047 1.00 0.00 C ATOM 342 CE2 PHE A -7 -6.982 6.487 17.065 1.00 0.00 C ATOM 343 CZ PHE A -7 -7.336 7.690 16.444 1.00 0.00 C ATOM 0 H PHE A -7 -6.962 1.905 12.478 1.00 0.00 H new ATOM 0 HA PHE A -7 -8.559 3.917 14.043 1.00 0.00 H new ATOM 0 HB2 PHE A -7 -5.933 3.459 14.676 1.00 0.00 H new ATOM 0 HB3 PHE A -7 -5.686 4.486 13.278 1.00 0.00 H new ATOM 0 HD1 PHE A -7 -7.117 6.704 13.193 1.00 0.00 H new ATOM 0 HD2 PHE A -7 -6.405 4.435 16.769 1.00 0.00 H new ATOM 0 HE1 PHE A -7 -7.649 8.700 14.568 1.00 0.00 H new ATOM 0 HE2 PHE A -7 -6.944 6.426 18.143 1.00 0.00 H new ATOM 0 HZ PHE A -7 -7.575 8.557 17.042 1.00 0.00 H new ATOM 353 N GLN A -6 -7.068 4.027 11.108 1.00 0.00 N ATOM 354 CA GLN A -6 -7.243 4.606 9.740 1.00 0.00 C ATOM 355 C GLN A -6 -8.259 3.780 8.928 1.00 0.00 C ATOM 356 O GLN A -6 -7.988 3.359 7.815 1.00 0.00 O ATOM 357 CB GLN A -6 -5.853 4.558 9.092 1.00 0.00 C ATOM 358 CG GLN A -6 -4.917 5.554 9.791 1.00 0.00 C ATOM 359 CD GLN A -6 -3.462 5.170 9.509 1.00 0.00 C ATOM 360 OE1 GLN A -6 -2.720 4.846 10.415 1.00 0.00 O ATOM 361 NE2 GLN A -6 -3.023 5.179 8.281 1.00 0.00 N ATOM 0 H GLN A -6 -6.252 3.426 11.223 1.00 0.00 H new ATOM 0 HA GLN A -6 -7.631 5.624 9.777 1.00 0.00 H new ATOM 0 HB2 GLN A -6 -5.444 3.550 9.162 1.00 0.00 H new ATOM 0 HB3 GLN A -6 -5.928 4.798 8.031 1.00 0.00 H new ATOM 0 HG2 GLN A -6 -5.113 6.565 9.435 1.00 0.00 H new ATOM 0 HG3 GLN A -6 -5.103 5.552 10.865 1.00 0.00 H new ATOM 0 HE21 GLN A -6 -3.644 5.451 7.519 1.00 0.00 H new ATOM 0 HE22 GLN A -6 -2.058 4.914 8.082 1.00 0.00 H new ATOM 370 N GLY A -5 -9.428 3.565 9.469 1.00 0.00 N ATOM 371 CA GLY A -5 -10.474 2.795 8.735 1.00 0.00 C ATOM 372 C GLY A -5 -11.463 3.793 8.133 1.00 0.00 C ATOM 373 O GLY A -5 -11.241 4.319 7.060 1.00 0.00 O ATOM 0 H GLY A -5 -9.705 3.892 10.395 1.00 0.00 H new ATOM 0 HA2 GLY A -5 -10.020 2.189 7.951 1.00 0.00 H new ATOM 0 HA3 GLY A -5 -10.987 2.111 9.411 1.00 0.00 H new ATOM 377 N ALA A -4 -12.533 4.084 8.827 1.00 0.00 N ATOM 378 CA ALA A -4 -13.516 5.084 8.304 1.00 0.00 C ATOM 379 C ALA A -4 -12.908 6.484 8.458 1.00 0.00 C ATOM 380 O ALA A -4 -13.276 7.241 9.340 1.00 0.00 O ATOM 381 CB ALA A -4 -14.765 4.931 9.184 1.00 0.00 C ATOM 0 H ALA A -4 -12.770 3.675 9.731 1.00 0.00 H new ATOM 0 HA ALA A -4 -13.762 4.935 7.253 1.00 0.00 H new ATOM 0 HB1 ALA A -4 -15.529 5.636 8.856 1.00 0.00 H new ATOM 0 HB2 ALA A -4 -15.148 3.914 9.098 1.00 0.00 H new ATOM 0 HB3 ALA A -4 -14.505 5.134 10.223 1.00 0.00 H new ATOM 387 N MET A -3 -11.952 6.815 7.630 1.00 0.00 N ATOM 388 CA MET A -3 -11.282 8.143 7.738 1.00 0.00 C ATOM 389 C MET A -3 -12.067 9.225 6.978 1.00 0.00 C ATOM 390 O MET A -3 -13.281 9.164 6.872 1.00 0.00 O ATOM 391 CB MET A -3 -9.886 7.918 7.142 1.00 0.00 C ATOM 392 CG MET A -3 -9.974 7.744 5.617 1.00 0.00 C ATOM 393 SD MET A -3 -9.242 6.156 5.123 1.00 0.00 S ATOM 394 CE MET A -3 -7.773 6.195 6.180 1.00 0.00 C ATOM 0 H MET A -3 -11.605 6.218 6.879 1.00 0.00 H new ATOM 0 HA MET A -3 -11.228 8.502 8.766 1.00 0.00 H new ATOM 0 HB2 MET A -3 -9.241 8.764 7.381 1.00 0.00 H new ATOM 0 HB3 MET A -3 -9.431 7.034 7.589 1.00 0.00 H new ATOM 0 HG2 MET A -3 -11.015 7.787 5.298 1.00 0.00 H new ATOM 0 HG3 MET A -3 -9.454 8.563 5.120 1.00 0.00 H new ATOM 0 HE1 MET A -3 -6.962 5.650 5.696 1.00 0.00 H new ATOM 0 HE2 MET A -3 -7.469 7.229 6.343 1.00 0.00 H new ATOM 0 HE3 MET A -3 -8.002 5.729 7.138 1.00 0.00 H new ATOM 404 N GLY A -2 -11.388 10.230 6.469 1.00 0.00 N ATOM 405 CA GLY A -2 -12.083 11.341 5.746 1.00 0.00 C ATOM 406 C GLY A -2 -12.554 10.914 4.346 1.00 0.00 C ATOM 407 O GLY A -2 -12.329 11.622 3.386 1.00 0.00 O ATOM 0 H GLY A -2 -10.374 10.326 6.526 1.00 0.00 H new ATOM 0 HA2 GLY A -2 -12.941 11.673 6.331 1.00 0.00 H new ATOM 0 HA3 GLY A -2 -11.409 12.193 5.657 1.00 0.00 H new ATOM 411 N SER A -1 -13.229 9.792 4.235 1.00 0.00 N ATOM 412 CA SER A -1 -13.762 9.312 2.912 1.00 0.00 C ATOM 413 C SER A -1 -12.900 9.765 1.719 1.00 0.00 C ATOM 414 O SER A -1 -13.413 10.224 0.710 1.00 0.00 O ATOM 415 CB SER A -1 -15.164 9.917 2.828 1.00 0.00 C ATOM 416 OG SER A -1 -15.872 9.636 4.036 1.00 0.00 O ATOM 0 H SER A -1 -13.438 9.175 5.020 1.00 0.00 H new ATOM 0 HA SER A -1 -13.759 8.223 2.859 1.00 0.00 H new ATOM 0 HB2 SER A -1 -15.099 10.994 2.673 1.00 0.00 H new ATOM 0 HB3 SER A -1 -15.700 9.504 1.974 1.00 0.00 H new ATOM 0 HG SER A -1 -16.771 10.024 3.986 1.00 0.00 H new ATOM 422 N GLY A 1 -11.603 9.628 1.814 1.00 0.00 N ATOM 423 CA GLY A 1 -10.723 10.040 0.679 1.00 0.00 C ATOM 424 C GLY A 1 -10.884 9.043 -0.474 1.00 0.00 C ATOM 425 O GLY A 1 -11.545 8.034 -0.321 1.00 0.00 O ATOM 0 H GLY A 1 -11.116 9.250 2.626 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.986 11.044 0.346 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.683 10.073 1.004 1.00 0.00 H new ATOM 429 N PRO A 2 -10.273 9.354 -1.593 1.00 0.00 N ATOM 430 CA PRO A 2 -10.368 8.476 -2.796 1.00 0.00 C ATOM 431 C PRO A 2 -9.820 7.075 -2.514 1.00 0.00 C ATOM 432 O PRO A 2 -10.425 6.082 -2.876 1.00 0.00 O ATOM 433 CB PRO A 2 -9.530 9.221 -3.843 1.00 0.00 C ATOM 434 CG PRO A 2 -8.611 10.088 -3.046 1.00 0.00 C ATOM 435 CD PRO A 2 -9.419 10.524 -1.852 1.00 0.00 C ATOM 0 HA PRO A 2 -11.394 8.308 -3.122 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -8.973 8.526 -4.472 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -10.160 9.815 -4.505 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -7.719 9.541 -2.740 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -8.274 10.946 -3.628 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -8.784 10.759 -0.998 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -10.008 11.416 -2.066 1.00 0.00 H new ATOM 443 N CYS A 3 -8.694 6.984 -1.863 1.00 0.00 N ATOM 444 CA CYS A 3 -8.122 5.644 -1.551 1.00 0.00 C ATOM 445 C CYS A 3 -9.053 4.903 -0.585 1.00 0.00 C ATOM 446 O CYS A 3 -9.258 3.718 -0.715 1.00 0.00 O ATOM 447 CB CYS A 3 -6.744 5.909 -0.920 1.00 0.00 C ATOM 448 SG CYS A 3 -6.001 4.359 -0.360 1.00 0.00 S ATOM 0 H CYS A 3 -8.145 7.778 -1.534 1.00 0.00 H new ATOM 0 HA CYS A 3 -8.020 5.017 -2.437 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -6.091 6.392 -1.647 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -6.847 6.595 -0.079 1.00 0.00 H new ATOM 453 N ARG A 4 -9.637 5.590 0.373 1.00 0.00 N ATOM 454 CA ARG A 4 -10.562 4.897 1.328 1.00 0.00 C ATOM 455 C ARG A 4 -11.709 4.212 0.567 1.00 0.00 C ATOM 456 O ARG A 4 -12.043 3.074 0.840 1.00 0.00 O ATOM 457 CB ARG A 4 -11.104 6.000 2.246 1.00 0.00 C ATOM 458 CG ARG A 4 -12.165 5.418 3.193 1.00 0.00 C ATOM 459 CD ARG A 4 -11.572 4.261 4.011 1.00 0.00 C ATOM 460 NE ARG A 4 -12.198 3.027 3.450 1.00 0.00 N ATOM 461 CZ ARG A 4 -12.637 2.091 4.250 1.00 0.00 C ATOM 462 NH1 ARG A 4 -11.799 1.236 4.770 1.00 0.00 N ATOM 463 NH2 ARG A 4 -13.904 2.030 4.550 1.00 0.00 N ATOM 0 H ARG A 4 -9.514 6.590 0.533 1.00 0.00 H new ATOM 0 HA ARG A 4 -10.051 4.118 1.893 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -10.290 6.438 2.823 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -11.538 6.802 1.649 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -12.530 6.196 3.863 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -13.021 5.065 2.618 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -10.486 4.229 3.919 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -11.799 4.371 5.071 1.00 0.00 H new ATOM 0 HE ARG A 4 -12.283 2.914 2.440 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -10.805 1.299 4.552 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -12.139 0.505 5.395 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -14.554 2.713 4.160 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -14.246 1.299 5.174 1.00 0.00 H new ATOM 477 N ARG A 5 -12.310 4.890 -0.377 1.00 0.00 N ATOM 478 CA ARG A 5 -13.430 4.263 -1.152 1.00 0.00 C ATOM 479 C ARG A 5 -12.887 3.102 -1.984 1.00 0.00 C ATOM 480 O ARG A 5 -13.484 2.042 -2.062 1.00 0.00 O ATOM 481 CB ARG A 5 -13.970 5.374 -2.056 1.00 0.00 C ATOM 482 CG ARG A 5 -14.681 6.416 -1.192 1.00 0.00 C ATOM 483 CD ARG A 5 -13.981 7.774 -1.333 1.00 0.00 C ATOM 484 NE ARG A 5 -14.889 8.636 -2.139 1.00 0.00 N ATOM 485 CZ ARG A 5 -14.438 9.774 -2.607 1.00 0.00 C ATOM 486 NH1 ARG A 5 -13.952 10.670 -1.783 1.00 0.00 N ATOM 487 NH2 ARG A 5 -14.434 9.991 -3.896 1.00 0.00 N ATOM 0 H ARG A 5 -12.077 5.846 -0.646 1.00 0.00 H new ATOM 0 HA ARG A 5 -14.212 3.862 -0.507 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -13.154 5.838 -2.611 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -14.660 4.960 -2.791 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -15.725 6.502 -1.495 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -14.676 6.101 -0.149 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -13.793 8.217 -0.355 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -13.014 7.663 -1.824 1.00 0.00 H new ATOM 0 HE ARG A 5 -15.849 8.345 -2.324 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -13.926 10.480 -0.781 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -13.600 11.557 -2.144 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -14.781 9.276 -4.535 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -14.084 10.876 -4.263 1.00 0.00 H new ATOM 501 N HIS A 6 -11.747 3.291 -2.589 1.00 0.00 N ATOM 502 CA HIS A 6 -11.143 2.201 -3.402 1.00 0.00 C ATOM 503 C HIS A 6 -10.655 1.085 -2.480 1.00 0.00 C ATOM 504 O HIS A 6 -10.738 -0.074 -2.823 1.00 0.00 O ATOM 505 CB HIS A 6 -9.972 2.842 -4.158 1.00 0.00 C ATOM 506 CG HIS A 6 -10.499 3.506 -5.400 1.00 0.00 C ATOM 507 ND1 HIS A 6 -10.963 4.812 -5.402 1.00 0.00 N ATOM 508 CD2 HIS A 6 -10.680 3.042 -6.677 1.00 0.00 C ATOM 509 CE1 HIS A 6 -11.403 5.083 -6.646 1.00 0.00 C ATOM 510 NE2 HIS A 6 -11.254 4.038 -7.463 1.00 0.00 N ATOM 0 H HIS A 6 -11.207 4.156 -2.555 1.00 0.00 H new ATOM 0 HA HIS A 6 -11.857 1.758 -4.096 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -9.469 3.573 -3.524 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -9.233 2.085 -4.420 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -10.970 5.451 -4.607 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -10.417 2.053 -7.022 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -11.825 6.031 -6.946 1.00 0.00 H new ATOM 518 N LEU A 7 -10.159 1.416 -1.312 1.00 0.00 N ATOM 519 CA LEU A 7 -9.677 0.349 -0.388 1.00 0.00 C ATOM 520 C LEU A 7 -10.826 -0.590 -0.031 1.00 0.00 C ATOM 521 O LEU A 7 -10.727 -1.787 -0.205 1.00 0.00 O ATOM 522 CB LEU A 7 -9.182 1.078 0.864 1.00 0.00 C ATOM 523 CG LEU A 7 -7.831 0.508 1.297 1.00 0.00 C ATOM 524 CD1 LEU A 7 -7.484 1.046 2.678 1.00 0.00 C ATOM 525 CD2 LEU A 7 -7.896 -1.020 1.368 1.00 0.00 C ATOM 0 H LEU A 7 -10.069 2.370 -0.963 1.00 0.00 H new ATOM 0 HA LEU A 7 -8.890 -0.254 -0.840 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.088 2.145 0.661 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -9.908 0.969 1.670 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.074 0.803 0.570 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.521 0.644 2.994 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -7.428 2.134 2.641 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -8.254 0.746 3.389 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.927 -1.411 1.678 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -8.656 -1.319 2.090 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -8.152 -1.419 0.387 1.00 0.00 H new ATOM 537 N ASP A 8 -11.921 -0.054 0.444 1.00 0.00 N ATOM 538 CA ASP A 8 -13.086 -0.920 0.805 1.00 0.00 C ATOM 539 C ASP A 8 -13.555 -1.705 -0.424 1.00 0.00 C ATOM 540 O ASP A 8 -13.817 -2.893 -0.357 1.00 0.00 O ATOM 541 CB ASP A 8 -14.179 0.047 1.270 1.00 0.00 C ATOM 542 CG ASP A 8 -15.006 -0.604 2.374 1.00 0.00 C ATOM 543 OD1 ASP A 8 -14.571 -0.579 3.510 1.00 0.00 O ATOM 544 OD2 ASP A 8 -16.067 -1.115 2.070 1.00 0.00 O ATOM 0 H ASP A 8 -12.060 0.945 0.598 1.00 0.00 H new ATOM 0 HA ASP A 8 -12.835 -1.648 1.577 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -13.730 0.970 1.635 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -14.821 0.315 0.431 1.00 0.00 H new ATOM 549 N SER A 9 -13.652 -1.045 -1.544 1.00 0.00 N ATOM 550 CA SER A 9 -14.098 -1.724 -2.794 1.00 0.00 C ATOM 551 C SER A 9 -13.042 -2.735 -3.262 1.00 0.00 C ATOM 552 O SER A 9 -13.351 -3.882 -3.531 1.00 0.00 O ATOM 553 CB SER A 9 -14.269 -0.598 -3.822 1.00 0.00 C ATOM 554 OG SER A 9 -15.112 0.419 -3.279 1.00 0.00 O ATOM 0 H SER A 9 -13.439 -0.053 -1.648 1.00 0.00 H new ATOM 0 HA SER A 9 -15.022 -2.284 -2.650 1.00 0.00 H new ATOM 0 HB2 SER A 9 -13.297 -0.179 -4.083 1.00 0.00 H new ATOM 0 HB3 SER A 9 -14.703 -0.993 -4.741 1.00 0.00 H new ATOM 0 HG SER A 9 -14.576 1.030 -2.732 1.00 0.00 H new ATOM 560 N VAL A 10 -11.803 -2.320 -3.368 1.00 0.00 N ATOM 561 CA VAL A 10 -10.741 -3.264 -3.829 1.00 0.00 C ATOM 562 C VAL A 10 -10.519 -4.357 -2.786 1.00 0.00 C ATOM 563 O VAL A 10 -10.472 -5.524 -3.107 1.00 0.00 O ATOM 564 CB VAL A 10 -9.463 -2.421 -3.972 1.00 0.00 C ATOM 565 CG1 VAL A 10 -8.284 -3.324 -4.341 1.00 0.00 C ATOM 566 CG2 VAL A 10 -9.637 -1.366 -5.068 1.00 0.00 C ATOM 0 H VAL A 10 -11.484 -1.375 -3.156 1.00 0.00 H new ATOM 0 HA VAL A 10 -11.018 -3.748 -4.766 1.00 0.00 H new ATOM 0 HB VAL A 10 -9.271 -1.926 -3.020 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -7.381 -2.721 -4.441 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -8.138 -4.069 -3.559 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -8.492 -3.826 -5.286 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -8.723 -0.778 -5.156 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -9.844 -1.859 -6.018 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -10.468 -0.709 -4.812 1.00 0.00 H new ATOM 576 N LEU A 11 -10.368 -4.004 -1.544 1.00 0.00 N ATOM 577 CA LEU A 11 -10.118 -5.054 -0.524 1.00 0.00 C ATOM 578 C LEU A 11 -11.313 -6.002 -0.404 1.00 0.00 C ATOM 579 O LEU A 11 -11.134 -7.187 -0.203 1.00 0.00 O ATOM 580 CB LEU A 11 -9.812 -4.315 0.797 1.00 0.00 C ATOM 581 CG LEU A 11 -11.092 -4.087 1.624 1.00 0.00 C ATOM 582 CD1 LEU A 11 -11.416 -5.336 2.448 1.00 0.00 C ATOM 583 CD2 LEU A 11 -10.881 -2.906 2.575 1.00 0.00 C ATOM 0 H LEU A 11 -10.406 -3.047 -1.194 1.00 0.00 H new ATOM 0 HA LEU A 11 -9.276 -5.688 -0.801 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -9.097 -4.894 1.382 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -9.343 -3.356 0.579 1.00 0.00 H new ATOM 0 HG LEU A 11 -11.918 -3.877 0.944 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -12.322 -5.164 3.029 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -11.569 -6.183 1.780 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -10.588 -5.551 3.123 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -11.786 -2.744 3.160 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -10.049 -3.123 3.245 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -10.657 -2.009 1.997 1.00 0.00 H new ATOM 595 N GLN A 12 -12.530 -5.526 -0.509 1.00 0.00 N ATOM 596 CA GLN A 12 -13.665 -6.487 -0.373 1.00 0.00 C ATOM 597 C GLN A 12 -13.725 -7.425 -1.587 1.00 0.00 C ATOM 598 O GLN A 12 -13.798 -8.633 -1.441 1.00 0.00 O ATOM 599 CB GLN A 12 -14.930 -5.626 -0.305 1.00 0.00 C ATOM 600 CG GLN A 12 -15.142 -5.129 1.128 1.00 0.00 C ATOM 601 CD GLN A 12 -16.522 -4.476 1.238 1.00 0.00 C ATOM 602 OE1 GLN A 12 -17.338 -4.881 2.044 1.00 0.00 O ATOM 603 NE2 GLN A 12 -16.820 -3.477 0.459 1.00 0.00 N ATOM 0 H GLN A 12 -12.780 -4.551 -0.677 1.00 0.00 H new ATOM 0 HA GLN A 12 -13.554 -7.115 0.511 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -14.841 -4.778 -0.984 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -15.794 -6.206 -0.630 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -15.063 -5.960 1.829 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -14.365 -4.412 1.395 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -16.137 -3.136 -0.217 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -17.737 -3.035 0.525 1.00 0.00 H new ATOM 612 N GLN A 13 -13.696 -6.882 -2.777 1.00 0.00 N ATOM 613 CA GLN A 13 -13.755 -7.743 -4.004 1.00 0.00 C ATOM 614 C GLN A 13 -12.415 -8.407 -4.349 1.00 0.00 C ATOM 615 O GLN A 13 -12.351 -9.592 -4.618 1.00 0.00 O ATOM 616 CB GLN A 13 -14.133 -6.794 -5.141 1.00 0.00 C ATOM 617 CG GLN A 13 -15.390 -7.302 -5.852 1.00 0.00 C ATOM 618 CD GLN A 13 -15.665 -6.425 -7.076 1.00 0.00 C ATOM 619 OE1 GLN A 13 -15.649 -6.899 -8.194 1.00 0.00 O ATOM 620 NE2 GLN A 13 -15.914 -5.155 -6.914 1.00 0.00 N ATOM 0 H GLN A 13 -13.634 -5.880 -2.955 1.00 0.00 H new ATOM 0 HA GLN A 13 -14.464 -8.555 -3.843 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -14.308 -5.793 -4.747 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -13.309 -6.718 -5.851 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -15.256 -8.340 -6.156 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -16.242 -7.277 -5.173 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -15.928 -4.754 -5.976 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -16.095 -4.563 -7.725 1.00 0.00 H new ATOM 629 N LEU A 14 -11.355 -7.636 -4.412 1.00 0.00 N ATOM 630 CA LEU A 14 -10.041 -8.210 -4.834 1.00 0.00 C ATOM 631 C LEU A 14 -9.461 -9.169 -3.809 1.00 0.00 C ATOM 632 O LEU A 14 -9.044 -10.257 -4.146 1.00 0.00 O ATOM 633 CB LEU A 14 -9.097 -7.011 -5.006 1.00 0.00 C ATOM 634 CG LEU A 14 -9.542 -6.111 -6.178 1.00 0.00 C ATOM 635 CD1 LEU A 14 -8.312 -5.451 -6.798 1.00 0.00 C ATOM 636 CD2 LEU A 14 -10.263 -6.931 -7.259 1.00 0.00 C ATOM 0 H LEU A 14 -11.344 -6.640 -4.191 1.00 0.00 H new ATOM 0 HA LEU A 14 -10.168 -8.788 -5.750 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -9.074 -6.428 -4.085 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -8.082 -7.367 -5.183 1.00 0.00 H new ATOM 0 HG LEU A 14 -10.229 -5.358 -5.793 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -8.620 -4.814 -7.627 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -7.805 -4.848 -6.045 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -7.632 -6.220 -7.165 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -10.566 -6.273 -8.073 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -9.590 -7.698 -7.643 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -11.145 -7.405 -6.828 1.00 0.00 H new ATOM 648 N GLN A 15 -9.419 -8.811 -2.565 1.00 0.00 N ATOM 649 CA GLN A 15 -8.828 -9.760 -1.580 1.00 0.00 C ATOM 650 C GLN A 15 -9.601 -11.057 -1.564 1.00 0.00 C ATOM 651 O GLN A 15 -9.089 -12.089 -1.168 1.00 0.00 O ATOM 652 CB GLN A 15 -8.857 -9.075 -0.216 1.00 0.00 C ATOM 653 CG GLN A 15 -7.978 -7.820 -0.245 1.00 0.00 C ATOM 654 CD GLN A 15 -7.719 -7.330 1.182 1.00 0.00 C ATOM 655 OE1 GLN A 15 -6.627 -6.892 1.495 1.00 0.00 O ATOM 656 NE2 GLN A 15 -8.674 -7.385 2.068 1.00 0.00 N ATOM 0 H GLN A 15 -9.758 -7.926 -2.188 1.00 0.00 H new ATOM 0 HA GLN A 15 -7.802 -10.011 -1.849 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -9.881 -8.807 0.044 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -8.502 -9.761 0.553 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -7.032 -8.040 -0.740 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -8.467 -7.037 -0.824 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -9.590 -7.751 1.809 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -8.505 -7.062 3.021 1.00 0.00 H new ATOM 665 N THR A 16 -10.817 -11.030 -1.995 1.00 0.00 N ATOM 666 CA THR A 16 -11.583 -12.268 -2.007 1.00 0.00 C ATOM 667 C THR A 16 -11.357 -13.026 -3.320 1.00 0.00 C ATOM 668 O THR A 16 -11.095 -14.218 -3.297 1.00 0.00 O ATOM 669 CB THR A 16 -13.039 -11.814 -1.862 1.00 0.00 C ATOM 670 OG1 THR A 16 -13.366 -11.703 -0.482 1.00 0.00 O ATOM 671 CG2 THR A 16 -13.959 -12.821 -2.538 1.00 0.00 C ATOM 0 H THR A 16 -11.305 -10.202 -2.337 1.00 0.00 H new ATOM 0 HA THR A 16 -11.291 -12.955 -1.213 1.00 0.00 H new ATOM 0 HB THR A 16 -13.167 -10.842 -2.339 1.00 0.00 H new ATOM 0 HG1 THR A 16 -14.297 -11.411 -0.389 1.00 0.00 H new ATOM 0 HG21 THR A 16 -14.994 -12.496 -2.433 1.00 0.00 H new ATOM 0 HG22 THR A 16 -13.706 -12.892 -3.596 1.00 0.00 H new ATOM 0 HG23 THR A 16 -13.837 -13.797 -2.069 1.00 0.00 H new ATOM 679 N GLU A 17 -11.473 -12.379 -4.458 1.00 0.00 N ATOM 680 CA GLU A 17 -11.279 -13.157 -5.736 1.00 0.00 C ATOM 681 C GLU A 17 -9.917 -12.922 -6.399 1.00 0.00 C ATOM 682 O GLU A 17 -9.675 -13.396 -7.497 1.00 0.00 O ATOM 683 CB GLU A 17 -12.398 -12.666 -6.676 1.00 0.00 C ATOM 684 CG GLU A 17 -13.702 -12.449 -5.898 1.00 0.00 C ATOM 685 CD GLU A 17 -14.794 -11.998 -6.861 1.00 0.00 C ATOM 686 OE1 GLU A 17 -15.475 -12.855 -7.395 1.00 0.00 O ATOM 687 OE2 GLU A 17 -14.933 -10.805 -7.052 1.00 0.00 O ATOM 0 H GLU A 17 -11.685 -11.387 -4.563 1.00 0.00 H new ATOM 0 HA GLU A 17 -11.316 -14.226 -5.525 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -12.095 -11.735 -7.155 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -12.559 -13.395 -7.470 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -13.999 -13.372 -5.399 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -13.555 -11.700 -5.120 1.00 0.00 H new ATOM 694 N VAL A 18 -9.030 -12.211 -5.781 1.00 0.00 N ATOM 695 CA VAL A 18 -7.702 -11.982 -6.442 1.00 0.00 C ATOM 696 C VAL A 18 -6.582 -12.853 -5.892 1.00 0.00 C ATOM 697 O VAL A 18 -5.911 -13.581 -6.601 1.00 0.00 O ATOM 698 CB VAL A 18 -7.377 -10.496 -6.268 1.00 0.00 C ATOM 699 CG1 VAL A 18 -5.961 -10.216 -6.768 1.00 0.00 C ATOM 700 CG2 VAL A 18 -8.369 -9.665 -7.087 1.00 0.00 C ATOM 0 H VAL A 18 -9.150 -11.780 -4.864 1.00 0.00 H new ATOM 0 HA VAL A 18 -7.775 -12.264 -7.492 1.00 0.00 H new ATOM 0 HB VAL A 18 -7.449 -10.231 -5.213 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -5.733 -9.157 -6.642 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.249 -10.811 -6.196 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.889 -10.480 -7.823 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -8.142 -8.606 -6.967 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -8.289 -9.936 -8.140 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.383 -9.861 -6.738 1.00 0.00 H new ATOM 710 N TYR A 19 -6.327 -12.675 -4.637 1.00 0.00 N ATOM 711 CA TYR A 19 -5.185 -13.356 -3.948 1.00 0.00 C ATOM 712 C TYR A 19 -5.258 -14.861 -3.907 1.00 0.00 C ATOM 713 O TYR A 19 -4.391 -15.495 -3.344 1.00 0.00 O ATOM 714 CB TYR A 19 -5.167 -12.791 -2.527 1.00 0.00 C ATOM 715 CG TYR A 19 -4.890 -11.301 -2.552 1.00 0.00 C ATOM 716 CD1 TYR A 19 -4.268 -10.719 -3.665 1.00 0.00 C ATOM 717 CD2 TYR A 19 -5.256 -10.504 -1.461 1.00 0.00 C ATOM 718 CE1 TYR A 19 -4.014 -9.348 -3.688 1.00 0.00 C ATOM 719 CE2 TYR A 19 -4.998 -9.129 -1.486 1.00 0.00 C ATOM 720 CZ TYR A 19 -4.377 -8.550 -2.599 1.00 0.00 C ATOM 721 OH TYR A 19 -4.122 -7.195 -2.614 1.00 0.00 O ATOM 0 H TYR A 19 -6.876 -12.066 -4.030 1.00 0.00 H new ATOM 0 HA TYR A 19 -4.274 -13.157 -4.513 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -6.124 -12.981 -2.042 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -4.404 -13.299 -1.937 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -3.985 -11.334 -4.507 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -5.736 -10.949 -0.602 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -3.536 -8.902 -4.548 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.279 -8.513 -0.645 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.401 -7.005 -3.250 1.00 0.00 H new ATOM 731 N ARG A 20 -6.245 -15.448 -4.465 1.00 0.00 N ATOM 732 CA ARG A 20 -6.286 -16.930 -4.401 1.00 0.00 C ATOM 733 C ARG A 20 -5.410 -17.531 -5.489 1.00 0.00 C ATOM 734 O ARG A 20 -4.519 -18.318 -5.223 1.00 0.00 O ATOM 735 CB ARG A 20 -7.744 -17.321 -4.648 1.00 0.00 C ATOM 736 CG ARG A 20 -8.384 -17.759 -3.333 1.00 0.00 C ATOM 737 CD ARG A 20 -9.752 -17.102 -3.208 1.00 0.00 C ATOM 738 NE ARG A 20 -10.215 -17.415 -1.826 1.00 0.00 N ATOM 739 CZ ARG A 20 -10.009 -16.563 -0.858 1.00 0.00 C ATOM 740 NH1 ARG A 20 -10.394 -15.326 -1.000 1.00 0.00 N ATOM 741 NH2 ARG A 20 -9.402 -16.944 0.235 1.00 0.00 N ATOM 0 H ARG A 20 -7.016 -14.994 -4.955 1.00 0.00 H new ATOM 0 HA ARG A 20 -5.921 -17.293 -3.440 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.292 -16.477 -5.068 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.796 -18.130 -5.377 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -8.483 -18.844 -3.305 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.751 -17.475 -2.492 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -9.687 -16.026 -3.367 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -10.445 -17.493 -3.953 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.693 -18.296 -1.636 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -10.852 -15.030 -1.862 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.237 -14.654 -0.249 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.088 -17.909 0.334 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.243 -16.276 0.989 1.00 0.00 H new ATOM 755 N GLY A 21 -5.683 -17.193 -6.714 1.00 0.00 N ATOM 756 CA GLY A 21 -4.894 -17.764 -7.837 1.00 0.00 C ATOM 757 C GLY A 21 -4.333 -16.735 -8.835 1.00 0.00 C ATOM 758 O GLY A 21 -3.810 -17.163 -9.849 1.00 0.00 O ATOM 0 H GLY A 21 -6.421 -16.544 -6.988 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -4.063 -18.334 -7.423 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -5.524 -18.468 -8.381 1.00 0.00 H new ATOM 762 N ALA A 22 -4.513 -15.425 -8.712 1.00 0.00 N ATOM 763 CA ALA A 22 -4.032 -14.622 -9.891 1.00 0.00 C ATOM 764 C ALA A 22 -2.530 -14.272 -9.924 1.00 0.00 C ATOM 765 O ALA A 22 -1.765 -15.029 -10.486 1.00 0.00 O ATOM 766 CB ALA A 22 -4.845 -13.329 -9.782 1.00 0.00 C ATOM 0 H ALA A 22 -4.929 -14.922 -7.928 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.166 -15.209 -10.800 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -4.575 -12.660 -10.599 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.908 -13.562 -9.840 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.631 -12.844 -8.830 1.00 0.00 H new ATOM 772 N GLN A 23 -2.047 -13.194 -9.330 1.00 0.00 N ATOM 773 CA GLN A 23 -0.560 -12.990 -9.400 1.00 0.00 C ATOM 774 C GLN A 23 0.112 -12.470 -8.123 1.00 0.00 C ATOM 775 O GLN A 23 0.859 -13.144 -7.450 1.00 0.00 O ATOM 776 CB GLN A 23 -0.363 -11.997 -10.554 1.00 0.00 C ATOM 777 CG GLN A 23 0.439 -12.663 -11.671 1.00 0.00 C ATOM 778 CD GLN A 23 1.862 -12.107 -11.654 1.00 0.00 C ATOM 779 OE1 GLN A 23 2.177 -11.194 -12.390 1.00 0.00 O ATOM 780 NE2 GLN A 23 2.744 -12.611 -10.837 1.00 0.00 N ATOM 0 H GLN A 23 -2.584 -12.486 -8.829 1.00 0.00 H new ATOM 0 HA GLN A 23 -0.079 -13.957 -9.545 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -1.330 -11.668 -10.933 1.00 0.00 H new ATOM 0 HB3 GLN A 23 0.159 -11.109 -10.198 1.00 0.00 H new ATOM 0 HG2 GLN A 23 0.454 -13.744 -11.532 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -0.029 -12.473 -12.637 1.00 0.00 H new ATOM 0 HE21 GLN A 23 2.485 -13.378 -10.217 1.00 0.00 H new ATOM 0 HE22 GLN A 23 3.693 -12.238 -10.818 1.00 0.00 H new ATOM 789 N THR A 24 -0.130 -11.205 -7.889 1.00 0.00 N ATOM 790 CA THR A 24 0.477 -10.414 -6.775 1.00 0.00 C ATOM 791 C THR A 24 -0.261 -9.058 -6.713 1.00 0.00 C ATOM 792 O THR A 24 0.355 -8.014 -6.822 1.00 0.00 O ATOM 793 CB THR A 24 1.947 -10.189 -7.145 1.00 0.00 C ATOM 794 OG1 THR A 24 2.612 -11.423 -7.409 1.00 0.00 O ATOM 795 CG2 THR A 24 2.614 -9.490 -5.981 1.00 0.00 C ATOM 0 H THR A 24 -0.767 -10.655 -8.466 1.00 0.00 H new ATOM 0 HA THR A 24 0.400 -10.918 -5.812 1.00 0.00 H new ATOM 0 HB THR A 24 2.004 -9.586 -8.051 1.00 0.00 H new ATOM 0 HG1 THR A 24 2.111 -12.159 -7.000 1.00 0.00 H new ATOM 0 HG21 THR A 24 3.664 -9.316 -6.215 1.00 0.00 H new ATOM 0 HG22 THR A 24 2.120 -8.536 -5.798 1.00 0.00 H new ATOM 0 HG23 THR A 24 2.539 -10.114 -5.091 1.00 0.00 H new ATOM 803 N LEU A 25 -1.555 -9.050 -6.698 1.00 0.00 N ATOM 804 CA LEU A 25 -2.279 -7.743 -6.821 1.00 0.00 C ATOM 805 C LEU A 25 -2.096 -6.876 -5.584 1.00 0.00 C ATOM 806 O LEU A 25 -2.158 -7.310 -4.453 1.00 0.00 O ATOM 807 CB LEU A 25 -3.751 -8.101 -7.029 1.00 0.00 C ATOM 808 CG LEU A 25 -4.087 -7.974 -8.518 1.00 0.00 C ATOM 809 CD1 LEU A 25 -4.104 -9.362 -9.165 1.00 0.00 C ATOM 810 CD2 LEU A 25 -5.456 -7.308 -8.683 1.00 0.00 C ATOM 0 H LEU A 25 -2.148 -9.875 -6.608 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.886 -7.156 -7.651 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.944 -9.117 -6.684 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.387 -7.439 -6.441 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.329 -7.361 -9.006 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.343 -9.267 -10.224 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.124 -9.827 -9.055 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.856 -9.982 -8.677 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.692 -7.219 -9.743 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.217 -7.914 -8.191 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.435 -6.316 -8.232 1.00 0.00 H new ATOM 822 N TYR A 26 -1.765 -5.649 -5.855 1.00 0.00 N ATOM 823 CA TYR A 26 -1.438 -4.654 -4.796 1.00 0.00 C ATOM 824 C TYR A 26 -2.661 -3.971 -4.161 1.00 0.00 C ATOM 825 O TYR A 26 -3.592 -3.565 -4.831 1.00 0.00 O ATOM 826 CB TYR A 26 -0.521 -3.637 -5.526 1.00 0.00 C ATOM 827 CG TYR A 26 -0.998 -2.210 -5.349 1.00 0.00 C ATOM 828 CD1 TYR A 26 -0.934 -1.606 -4.093 1.00 0.00 C ATOM 829 CD2 TYR A 26 -1.480 -1.487 -6.448 1.00 0.00 C ATOM 830 CE1 TYR A 26 -1.352 -0.283 -3.926 1.00 0.00 C ATOM 831 CE2 TYR A 26 -1.901 -0.163 -6.283 1.00 0.00 C ATOM 832 CZ TYR A 26 -1.838 0.441 -5.025 1.00 0.00 C ATOM 833 OH TYR A 26 -2.254 1.751 -4.874 1.00 0.00 O ATOM 0 H TYR A 26 -1.705 -5.279 -6.804 1.00 0.00 H new ATOM 0 HA TYR A 26 -0.966 -5.135 -3.939 1.00 0.00 H new ATOM 0 HB2 TYR A 26 0.496 -3.729 -5.145 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.487 -3.878 -6.588 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -0.560 -2.163 -3.247 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.527 -1.951 -7.422 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -1.301 0.181 -2.952 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -2.275 0.393 -7.130 1.00 0.00 H new ATOM 0 HH TYR A 26 -1.733 2.180 -4.163 1.00 0.00 H new ATOM 843 N VAL A 27 -2.615 -3.812 -2.858 1.00 0.00 N ATOM 844 CA VAL A 27 -3.710 -3.114 -2.122 1.00 0.00 C ATOM 845 C VAL A 27 -3.180 -1.734 -1.674 1.00 0.00 C ATOM 846 O VAL A 27 -2.075 -1.627 -1.141 1.00 0.00 O ATOM 847 CB VAL A 27 -4.036 -4.027 -0.924 1.00 0.00 C ATOM 848 CG1 VAL A 27 -4.424 -3.200 0.309 1.00 0.00 C ATOM 849 CG2 VAL A 27 -5.201 -4.947 -1.303 1.00 0.00 C ATOM 0 H VAL A 27 -1.852 -4.143 -2.268 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.607 -2.941 -2.717 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.150 -4.613 -0.680 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -4.649 -3.869 1.140 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.596 -2.546 0.584 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.303 -2.597 0.081 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -5.440 -5.597 -0.462 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -6.074 -4.344 -1.555 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.920 -5.555 -2.163 1.00 0.00 H new ATOM 859 N PRO A 28 -3.966 -0.719 -1.932 1.00 0.00 N ATOM 860 CA PRO A 28 -3.575 0.672 -1.577 1.00 0.00 C ATOM 861 C PRO A 28 -3.778 0.992 -0.085 1.00 0.00 C ATOM 862 O PRO A 28 -4.675 0.486 0.560 1.00 0.00 O ATOM 863 CB PRO A 28 -4.510 1.527 -2.421 1.00 0.00 C ATOM 864 CG PRO A 28 -5.708 0.673 -2.699 1.00 0.00 C ATOM 865 CD PRO A 28 -5.281 -0.768 -2.595 1.00 0.00 C ATOM 0 HA PRO A 28 -2.515 0.846 -1.762 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -4.793 2.436 -1.891 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -4.027 1.836 -3.348 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -6.504 0.888 -1.986 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -6.105 0.883 -3.692 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -5.996 -1.352 -2.015 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -5.212 -1.233 -3.578 1.00 0.00 H new ATOM 873 N ASN A 29 -2.958 1.867 0.448 1.00 0.00 N ATOM 874 CA ASN A 29 -3.099 2.291 1.883 1.00 0.00 C ATOM 875 C ASN A 29 -3.542 3.742 1.900 1.00 0.00 C ATOM 876 O ASN A 29 -3.061 4.534 1.111 1.00 0.00 O ATOM 877 CB ASN A 29 -1.710 2.218 2.508 1.00 0.00 C ATOM 878 CG ASN A 29 -1.830 2.158 4.036 1.00 0.00 C ATOM 879 OD1 ASN A 29 -1.562 1.139 4.635 1.00 0.00 O ATOM 880 ND2 ASN A 29 -2.195 3.216 4.702 1.00 0.00 N ATOM 0 H ASN A 29 -2.189 2.311 -0.053 1.00 0.00 H new ATOM 0 HA ASN A 29 -3.813 1.664 2.417 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -1.182 1.338 2.141 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -1.123 3.088 2.214 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -2.254 3.183 5.720 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -2.422 4.078 4.206 1.00 0.00 H new ATOM 887 N CYS A 30 -4.430 4.123 2.765 1.00 0.00 N ATOM 888 CA CYS A 30 -4.851 5.549 2.759 1.00 0.00 C ATOM 889 C CYS A 30 -4.626 6.190 4.128 1.00 0.00 C ATOM 890 O CYS A 30 -4.858 5.583 5.156 1.00 0.00 O ATOM 891 CB CYS A 30 -6.354 5.535 2.442 1.00 0.00 C ATOM 892 SG CYS A 30 -6.799 4.063 1.471 1.00 0.00 S ATOM 0 H CYS A 30 -4.876 3.527 3.462 1.00 0.00 H new ATOM 0 HA CYS A 30 -4.277 6.124 2.032 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -6.926 5.550 3.370 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -6.621 6.435 1.889 1.00 0.00 H new ATOM 897 N ASP A 31 -4.209 7.426 4.146 1.00 0.00 N ATOM 898 CA ASP A 31 -4.011 8.133 5.446 1.00 0.00 C ATOM 899 C ASP A 31 -5.377 8.596 5.952 1.00 0.00 C ATOM 900 O ASP A 31 -6.366 8.453 5.258 1.00 0.00 O ATOM 901 CB ASP A 31 -3.119 9.335 5.133 1.00 0.00 C ATOM 902 CG ASP A 31 -2.573 9.917 6.431 1.00 0.00 C ATOM 903 OD1 ASP A 31 -1.598 9.387 6.927 1.00 0.00 O ATOM 904 OD2 ASP A 31 -3.133 10.887 6.905 1.00 0.00 O ATOM 0 H ASP A 31 -3.996 7.979 3.316 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.557 7.502 6.210 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.297 9.032 4.484 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -3.688 10.092 4.594 1.00 0.00 H new ATOM 909 N HIS A 32 -5.449 9.147 7.134 1.00 0.00 N ATOM 910 CA HIS A 32 -6.771 9.619 7.664 1.00 0.00 C ATOM 911 C HIS A 32 -7.488 10.495 6.622 1.00 0.00 C ATOM 912 O HIS A 32 -8.697 10.633 6.640 1.00 0.00 O ATOM 913 CB HIS A 32 -6.454 10.429 8.924 1.00 0.00 C ATOM 914 CG HIS A 32 -7.207 9.835 10.081 1.00 0.00 C ATOM 915 ND1 HIS A 32 -8.534 10.144 10.336 1.00 0.00 N ATOM 916 CD2 HIS A 32 -6.844 8.924 11.042 1.00 0.00 C ATOM 917 CE1 HIS A 32 -8.915 9.431 11.411 1.00 0.00 C ATOM 918 NE2 HIS A 32 -7.924 8.671 11.879 1.00 0.00 N ATOM 0 H HIS A 32 -4.655 9.292 7.757 1.00 0.00 H new ATOM 0 HA HIS A 32 -7.434 8.783 7.885 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -5.382 10.414 9.123 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -6.738 11.472 8.784 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -5.867 8.473 11.134 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -9.904 9.469 11.843 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -7.953 8.040 12.680 1.00 0.00 H new ATOM 926 N ARG A 33 -6.752 11.065 5.699 1.00 0.00 N ATOM 927 CA ARG A 33 -7.391 11.909 4.631 1.00 0.00 C ATOM 928 C ARG A 33 -7.942 11.007 3.513 1.00 0.00 C ATOM 929 O ARG A 33 -8.414 11.482 2.498 1.00 0.00 O ATOM 930 CB ARG A 33 -6.312 12.859 4.066 1.00 0.00 C ATOM 931 CG ARG A 33 -5.123 13.004 5.023 1.00 0.00 C ATOM 932 CD ARG A 33 -5.595 13.521 6.391 1.00 0.00 C ATOM 933 NE ARG A 33 -5.503 15.008 6.305 1.00 0.00 N ATOM 934 CZ ARG A 33 -5.108 15.694 7.345 1.00 0.00 C ATOM 935 NH1 ARG A 33 -5.973 16.101 8.242 1.00 0.00 N ATOM 936 NH2 ARG A 33 -3.840 15.953 7.491 1.00 0.00 N ATOM 0 H ARG A 33 -5.737 10.985 5.636 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.219 12.485 5.044 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -5.962 12.481 3.106 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -6.751 13.839 3.881 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -4.625 12.042 5.143 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -4.390 13.691 4.601 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -6.616 13.202 6.601 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -4.969 13.134 7.195 1.00 0.00 H new ATOM 0 HE ARG A 33 -5.747 15.487 5.438 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -6.963 15.883 8.131 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -5.656 16.636 9.051 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -3.169 15.621 6.798 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -3.518 16.487 8.298 1.00 0.00 H new ATOM 950 N GLY A 34 -7.898 9.712 3.704 1.00 0.00 N ATOM 951 CA GLY A 34 -8.429 8.763 2.682 1.00 0.00 C ATOM 952 C GLY A 34 -7.600 8.748 1.388 1.00 0.00 C ATOM 953 O GLY A 34 -7.954 8.051 0.461 1.00 0.00 O ATOM 0 H GLY A 34 -7.511 9.268 4.537 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.451 7.758 3.104 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.458 9.032 2.444 1.00 0.00 H new ATOM 957 N PHE A 35 -6.519 9.479 1.298 1.00 0.00 N ATOM 958 CA PHE A 35 -5.698 9.440 0.041 1.00 0.00 C ATOM 959 C PHE A 35 -4.680 8.295 0.131 1.00 0.00 C ATOM 960 O PHE A 35 -4.357 7.849 1.214 1.00 0.00 O ATOM 961 CB PHE A 35 -4.978 10.792 -0.021 1.00 0.00 C ATOM 962 CG PHE A 35 -5.824 11.779 -0.785 1.00 0.00 C ATOM 963 CD1 PHE A 35 -6.905 12.408 -0.157 1.00 0.00 C ATOM 964 CD2 PHE A 35 -5.530 12.062 -2.123 1.00 0.00 C ATOM 965 CE1 PHE A 35 -7.694 13.320 -0.867 1.00 0.00 C ATOM 966 CE2 PHE A 35 -6.318 12.974 -2.834 1.00 0.00 C ATOM 967 CZ PHE A 35 -7.399 13.604 -2.206 1.00 0.00 C ATOM 0 H PHE A 35 -6.168 10.097 2.030 1.00 0.00 H new ATOM 0 HA PHE A 35 -6.307 9.272 -0.847 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.790 11.162 0.987 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -4.008 10.677 -0.505 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -7.130 12.189 0.876 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -4.695 11.577 -2.607 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -8.529 13.804 -0.383 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -6.092 13.192 -3.867 1.00 0.00 H new ATOM 0 HZ PHE A 35 -8.006 14.309 -2.755 1.00 0.00 H new ATOM 977 N TYR A 36 -4.145 7.847 -0.985 1.00 0.00 N ATOM 978 CA TYR A 36 -3.107 6.748 -0.960 1.00 0.00 C ATOM 979 C TYR A 36 -1.843 7.381 -0.410 1.00 0.00 C ATOM 980 O TYR A 36 -0.974 7.751 -1.163 1.00 0.00 O ATOM 981 CB TYR A 36 -2.875 6.351 -2.434 1.00 0.00 C ATOM 982 CG TYR A 36 -4.171 5.978 -3.115 1.00 0.00 C ATOM 983 CD1 TYR A 36 -4.648 4.670 -3.027 1.00 0.00 C ATOM 984 CD2 TYR A 36 -4.894 6.937 -3.836 1.00 0.00 C ATOM 985 CE1 TYR A 36 -5.845 4.314 -3.657 1.00 0.00 C ATOM 986 CE2 TYR A 36 -6.092 6.582 -4.466 1.00 0.00 C ATOM 987 CZ TYR A 36 -6.569 5.270 -4.374 1.00 0.00 C ATOM 988 OH TYR A 36 -7.752 4.922 -4.986 1.00 0.00 O ATOM 0 H TYR A 36 -4.380 8.193 -1.915 1.00 0.00 H new ATOM 0 HA TYR A 36 -3.397 5.882 -0.366 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -2.408 7.180 -2.966 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -2.182 5.511 -2.481 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -4.091 3.930 -2.471 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -4.527 7.950 -3.906 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -6.210 3.300 -3.589 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -6.648 7.321 -5.023 1.00 0.00 H new ATOM 0 HH TYR A 36 -8.128 5.705 -5.441 1.00 0.00 H new ATOM 998 N ARG A 37 -1.780 7.638 0.868 1.00 0.00 N ATOM 999 CA ARG A 37 -0.603 8.405 1.351 1.00 0.00 C ATOM 1000 C ARG A 37 0.698 7.646 1.589 1.00 0.00 C ATOM 1001 O ARG A 37 1.713 7.969 1.014 1.00 0.00 O ATOM 1002 CB ARG A 37 -1.068 9.066 2.650 1.00 0.00 C ATOM 1003 CG ARG A 37 -0.124 10.225 2.979 1.00 0.00 C ATOM 1004 CD ARG A 37 -0.911 11.540 3.068 1.00 0.00 C ATOM 1005 NE ARG A 37 -1.031 11.840 4.526 1.00 0.00 N ATOM 1006 CZ ARG A 37 0.039 12.096 5.234 1.00 0.00 C ATOM 1007 NH1 ARG A 37 0.759 13.155 4.971 1.00 0.00 N ATOM 1008 NH2 ARG A 37 0.389 11.293 6.200 1.00 0.00 N ATOM 0 H ARG A 37 -2.464 7.362 1.573 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.317 9.089 0.552 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.090 9.430 2.543 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.072 8.340 3.463 1.00 0.00 H new ATOM 0 HG2 ARG A 37 0.385 10.032 3.924 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.647 10.305 2.212 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.392 12.343 2.544 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.893 11.441 2.606 1.00 0.00 H new ATOM 0 HE ARG A 37 -1.949 11.845 4.971 1.00 0.00 H new ATOM 0 HH11 ARG A 37 0.487 13.782 4.214 1.00 0.00 H new ATOM 0 HH12 ARG A 37 1.593 13.355 5.523 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -0.171 10.465 6.404 1.00 0.00 H new ATOM 0 HH22 ARG A 37 1.223 11.492 6.752 1.00 0.00 H new ATOM 1022 N LYS A 38 0.717 6.729 2.494 1.00 0.00 N ATOM 1023 CA LYS A 38 2.018 6.068 2.809 1.00 0.00 C ATOM 1024 C LYS A 38 2.318 4.718 2.152 1.00 0.00 C ATOM 1025 O LYS A 38 3.436 4.483 1.731 1.00 0.00 O ATOM 1026 CB LYS A 38 2.013 5.917 4.323 1.00 0.00 C ATOM 1027 CG LYS A 38 3.421 6.204 4.838 1.00 0.00 C ATOM 1028 CD LYS A 38 3.342 7.077 6.089 1.00 0.00 C ATOM 1029 CE LYS A 38 2.925 6.237 7.306 1.00 0.00 C ATOM 1030 NZ LYS A 38 4.048 5.279 7.544 1.00 0.00 N ATOM 0 H LYS A 38 -0.089 6.404 3.028 1.00 0.00 H new ATOM 0 HA LYS A 38 2.808 6.695 2.396 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.297 6.606 4.771 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.704 4.910 4.603 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.933 5.269 5.067 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.005 6.707 4.068 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.309 7.543 6.276 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.625 7.883 5.933 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.758 6.869 8.179 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.992 5.706 7.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.999 4.923 8.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.971 4.482 6.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.956 5.765 7.398 1.00 0.00 H new ATOM 1044 N ARG A 39 1.399 3.787 2.163 1.00 0.00 N ATOM 1045 CA ARG A 39 1.755 2.426 1.648 1.00 0.00 C ATOM 1046 C ARG A 39 1.005 1.963 0.407 1.00 0.00 C ATOM 1047 O ARG A 39 -0.203 1.995 0.336 1.00 0.00 O ATOM 1048 CB ARG A 39 1.451 1.490 2.827 1.00 0.00 C ATOM 1049 CG ARG A 39 1.433 0.022 2.374 1.00 0.00 C ATOM 1050 CD ARG A 39 0.546 -0.792 3.327 1.00 0.00 C ATOM 1051 NE ARG A 39 -0.456 -1.477 2.458 1.00 0.00 N ATOM 1052 CZ ARG A 39 -1.736 -1.282 2.655 1.00 0.00 C ATOM 1053 NH1 ARG A 39 -2.227 -1.348 3.867 1.00 0.00 N ATOM 1054 NH2 ARG A 39 -2.519 -1.011 1.643 1.00 0.00 N ATOM 0 H ARG A 39 0.442 3.902 2.496 1.00 0.00 H new ATOM 0 HA ARG A 39 2.793 2.432 1.317 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.202 1.625 3.606 1.00 0.00 H new ATOM 0 HB3 ARG A 39 0.487 1.751 3.264 1.00 0.00 H new ATOM 0 HG2 ARG A 39 1.054 -0.051 1.355 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.446 -0.381 2.368 1.00 0.00 H new ATOM 0 HD2 ARG A 39 1.136 -1.515 3.890 1.00 0.00 H new ATOM 0 HD3 ARG A 39 0.056 -0.145 4.055 1.00 0.00 H new ATOM 0 HE ARG A 39 -0.144 -2.097 1.711 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -1.613 -1.551 4.656 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -3.224 -1.196 4.022 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.133 -0.952 0.701 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.516 -0.859 1.796 1.00 0.00 H new ATOM 1068 N GLN A 40 1.735 1.402 -0.509 1.00 0.00 N ATOM 1069 CA GLN A 40 1.120 0.766 -1.705 1.00 0.00 C ATOM 1070 C GLN A 40 1.891 -0.542 -1.872 1.00 0.00 C ATOM 1071 O GLN A 40 3.103 -0.520 -1.957 1.00 0.00 O ATOM 1072 CB GLN A 40 1.359 1.713 -2.883 1.00 0.00 C ATOM 1073 CG GLN A 40 0.956 3.146 -2.512 1.00 0.00 C ATOM 1074 CD GLN A 40 -0.534 3.216 -2.142 1.00 0.00 C ATOM 1075 OE1 GLN A 40 -1.340 2.467 -2.658 1.00 0.00 O ATOM 1076 NE2 GLN A 40 -0.938 4.091 -1.262 1.00 0.00 N ATOM 0 H GLN A 40 2.754 1.356 -0.480 1.00 0.00 H new ATOM 0 HA GLN A 40 0.049 0.577 -1.630 1.00 0.00 H new ATOM 0 HB2 GLN A 40 2.410 1.688 -3.170 1.00 0.00 H new ATOM 0 HB3 GLN A 40 0.784 1.380 -3.747 1.00 0.00 H new ATOM 0 HG2 GLN A 40 1.560 3.493 -1.674 1.00 0.00 H new ATOM 0 HG3 GLN A 40 1.159 3.814 -3.349 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -0.267 4.722 -0.825 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -1.925 4.143 -1.011 1.00 0.00 H new ATOM 1085 N CYS A 41 1.247 -1.679 -1.849 1.00 0.00 N ATOM 1086 CA CYS A 41 2.050 -2.942 -1.947 1.00 0.00 C ATOM 1087 C CYS A 41 1.390 -3.989 -2.818 1.00 0.00 C ATOM 1088 O CYS A 41 0.201 -4.192 -2.742 1.00 0.00 O ATOM 1089 CB CYS A 41 2.118 -3.485 -0.524 1.00 0.00 C ATOM 1090 SG CYS A 41 2.775 -2.240 0.601 1.00 0.00 S ATOM 0 H CYS A 41 0.236 -1.793 -1.770 1.00 0.00 H new ATOM 0 HA CYS A 41 3.022 -2.726 -2.391 1.00 0.00 H new ATOM 0 HB2 CYS A 41 1.124 -3.789 -0.197 1.00 0.00 H new ATOM 0 HB3 CYS A 41 2.748 -4.374 -0.498 1.00 0.00 H new ATOM 1095 N ARG A 42 2.177 -4.704 -3.585 1.00 0.00 N ATOM 1096 CA ARG A 42 1.631 -5.812 -4.416 1.00 0.00 C ATOM 1097 C ARG A 42 1.468 -7.022 -3.498 1.00 0.00 C ATOM 1098 O ARG A 42 2.364 -7.339 -2.733 1.00 0.00 O ATOM 1099 CB ARG A 42 2.682 -6.065 -5.502 1.00 0.00 C ATOM 1100 CG ARG A 42 2.495 -5.069 -6.650 1.00 0.00 C ATOM 1101 CD ARG A 42 1.406 -5.580 -7.596 1.00 0.00 C ATOM 1102 NE ARG A 42 1.464 -4.698 -8.795 1.00 0.00 N ATOM 1103 CZ ARG A 42 0.995 -5.136 -9.930 1.00 0.00 C ATOM 1104 NH1 ARG A 42 1.577 -6.142 -10.520 1.00 0.00 N ATOM 1105 NH2 ARG A 42 -0.055 -4.571 -10.469 1.00 0.00 N ATOM 0 H ARG A 42 3.184 -4.562 -3.669 1.00 0.00 H new ATOM 0 HA ARG A 42 0.667 -5.595 -4.875 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.683 -5.965 -5.082 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.593 -7.085 -5.876 1.00 0.00 H new ATOM 0 HG2 ARG A 42 2.220 -4.091 -6.256 1.00 0.00 H new ATOM 0 HG3 ARG A 42 3.432 -4.942 -7.192 1.00 0.00 H new ATOM 0 HD2 ARG A 42 1.581 -6.621 -7.867 1.00 0.00 H new ATOM 0 HD3 ARG A 42 0.425 -5.534 -7.124 1.00 0.00 H new ATOM 0 HE ARG A 42 1.866 -3.763 -8.729 1.00 0.00 H new ATOM 0 HH11 ARG A 42 2.393 -6.581 -10.094 1.00 0.00 H new ATOM 0 HH12 ARG A 42 1.216 -6.491 -11.408 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -0.508 -3.786 -10.001 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -0.420 -4.915 -11.357 1.00 0.00 H new ATOM 1119 N SER A 43 0.329 -7.658 -3.514 1.00 0.00 N ATOM 1120 CA SER A 43 0.106 -8.801 -2.584 1.00 0.00 C ATOM 1121 C SER A 43 -0.119 -10.132 -3.319 1.00 0.00 C ATOM 1122 O SER A 43 -0.837 -10.220 -4.317 1.00 0.00 O ATOM 1123 CB SER A 43 -1.149 -8.418 -1.792 1.00 0.00 C ATOM 1124 OG SER A 43 -1.020 -7.087 -1.297 1.00 0.00 O ATOM 0 H SER A 43 -0.454 -7.437 -4.128 1.00 0.00 H new ATOM 0 HA SER A 43 0.982 -8.963 -1.955 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.030 -8.495 -2.429 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.293 -9.112 -0.964 1.00 0.00 H new ATOM 0 HG SER A 43 -0.523 -7.099 -0.452 1.00 0.00 H new ATOM 1130 N SER A 44 0.475 -11.170 -2.785 1.00 0.00 N ATOM 1131 CA SER A 44 0.329 -12.539 -3.351 1.00 0.00 C ATOM 1132 C SER A 44 -0.528 -13.382 -2.393 1.00 0.00 C ATOM 1133 O SER A 44 -0.771 -12.981 -1.269 1.00 0.00 O ATOM 1134 CB SER A 44 1.756 -13.090 -3.418 1.00 0.00 C ATOM 1135 OG SER A 44 2.515 -12.315 -4.344 1.00 0.00 O ATOM 0 H SER A 44 1.070 -11.120 -1.958 1.00 0.00 H new ATOM 0 HA SER A 44 -0.152 -12.551 -4.329 1.00 0.00 H new ATOM 0 HB2 SER A 44 2.219 -13.056 -2.432 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.741 -14.135 -3.727 1.00 0.00 H new ATOM 0 HG SER A 44 3.430 -12.663 -4.389 1.00 0.00 H new ATOM 1141 N GLN A 45 -0.997 -14.531 -2.819 1.00 0.00 N ATOM 1142 CA GLN A 45 -1.845 -15.377 -1.914 1.00 0.00 C ATOM 1143 C GLN A 45 -1.136 -15.620 -0.570 1.00 0.00 C ATOM 1144 O GLN A 45 -1.773 -15.714 0.463 1.00 0.00 O ATOM 1145 CB GLN A 45 -2.080 -16.699 -2.676 1.00 0.00 C ATOM 1146 CG GLN A 45 -0.938 -17.691 -2.427 1.00 0.00 C ATOM 1147 CD GLN A 45 0.257 -17.328 -3.306 1.00 0.00 C ATOM 1148 OE1 GLN A 45 1.267 -16.865 -2.814 1.00 0.00 O ATOM 1149 NE2 GLN A 45 0.184 -17.504 -4.594 1.00 0.00 N ATOM 0 H GLN A 45 -0.832 -14.919 -3.748 1.00 0.00 H new ATOM 0 HA GLN A 45 -2.790 -14.890 -1.673 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -3.025 -17.141 -2.360 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -2.164 -16.497 -3.744 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -0.649 -17.672 -1.376 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -1.270 -18.706 -2.648 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -0.663 -17.893 -5.008 1.00 0.00 H new ATOM 0 HE22 GLN A 45 0.974 -17.253 -5.189 1.00 0.00 H new ATOM 1158 N GLY A 46 0.171 -15.722 -0.572 1.00 0.00 N ATOM 1159 CA GLY A 46 0.908 -15.956 0.702 1.00 0.00 C ATOM 1160 C GLY A 46 1.410 -14.620 1.238 1.00 0.00 C ATOM 1161 O GLY A 46 0.949 -14.134 2.254 1.00 0.00 O ATOM 0 H GLY A 46 0.757 -15.653 -1.404 1.00 0.00 H new ATOM 0 HA2 GLY A 46 0.255 -16.433 1.433 1.00 0.00 H new ATOM 0 HA3 GLY A 46 1.746 -16.633 0.533 1.00 0.00 H new ATOM 1165 N GLN A 47 2.350 -14.021 0.562 1.00 0.00 N ATOM 1166 CA GLN A 47 2.889 -12.713 1.029 1.00 0.00 C ATOM 1167 C GLN A 47 1.964 -11.573 0.600 1.00 0.00 C ATOM 1168 O GLN A 47 2.062 -11.061 -0.502 1.00 0.00 O ATOM 1169 CB GLN A 47 4.262 -12.573 0.365 1.00 0.00 C ATOM 1170 CG GLN A 47 5.343 -13.099 1.318 1.00 0.00 C ATOM 1171 CD GLN A 47 6.535 -12.139 1.309 1.00 0.00 C ATOM 1172 OE1 GLN A 47 6.464 -11.074 1.886 1.00 0.00 O ATOM 1173 NE2 GLN A 47 7.629 -12.462 0.677 1.00 0.00 N ATOM 0 H GLN A 47 2.769 -14.381 -0.295 1.00 0.00 H new ATOM 0 HA GLN A 47 2.963 -12.669 2.116 1.00 0.00 H new ATOM 0 HB2 GLN A 47 4.284 -13.130 -0.571 1.00 0.00 H new ATOM 0 HB3 GLN A 47 4.455 -11.529 0.119 1.00 0.00 H new ATOM 0 HG2 GLN A 47 4.942 -13.189 2.327 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.661 -14.095 1.011 1.00 0.00 H new ATOM 0 HE21 GLN A 47 7.692 -13.357 0.191 1.00 0.00 H new ATOM 0 HE22 GLN A 47 8.422 -11.820 0.669 1.00 0.00 H new ATOM 1182 N ARG A 48 1.068 -11.171 1.456 1.00 0.00 N ATOM 1183 CA ARG A 48 0.140 -10.056 1.093 1.00 0.00 C ATOM 1184 C ARG A 48 0.821 -8.697 1.289 1.00 0.00 C ATOM 1185 O ARG A 48 0.345 -7.683 0.813 1.00 0.00 O ATOM 1186 CB ARG A 48 -1.051 -10.189 2.044 1.00 0.00 C ATOM 1187 CG ARG A 48 -1.958 -11.344 1.596 1.00 0.00 C ATOM 1188 CD ARG A 48 -3.395 -10.839 1.377 1.00 0.00 C ATOM 1189 NE ARG A 48 -3.692 -9.948 2.538 1.00 0.00 N ATOM 1190 CZ ARG A 48 -4.514 -8.941 2.395 1.00 0.00 C ATOM 1191 NH1 ARG A 48 -4.245 -7.992 1.534 1.00 0.00 N ATOM 1192 NH2 ARG A 48 -5.612 -8.897 3.099 1.00 0.00 N ATOM 0 H ARG A 48 0.935 -11.562 2.389 1.00 0.00 H new ATOM 0 HA ARG A 48 -0.162 -10.113 0.047 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -0.697 -10.367 3.059 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -1.617 -9.258 2.062 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -1.574 -11.781 0.674 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -1.953 -12.133 2.348 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -3.480 -10.296 0.435 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -4.099 -11.670 1.331 1.00 0.00 H new ATOM 0 HE ARG A 48 -3.254 -10.125 3.442 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -3.394 -8.038 0.974 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -4.887 -7.207 1.423 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -5.826 -9.646 3.757 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -6.256 -8.114 2.991 1.00 0.00 H new ATOM 1206 N ARG A 49 1.924 -8.664 1.990 1.00 0.00 N ATOM 1207 CA ARG A 49 2.628 -7.367 2.221 1.00 0.00 C ATOM 1208 C ARG A 49 3.989 -7.379 1.519 1.00 0.00 C ATOM 1209 O ARG A 49 4.961 -6.847 2.025 1.00 0.00 O ATOM 1210 CB ARG A 49 2.830 -7.258 3.741 1.00 0.00 C ATOM 1211 CG ARG A 49 1.621 -7.825 4.506 1.00 0.00 C ATOM 1212 CD ARG A 49 2.071 -8.374 5.869 1.00 0.00 C ATOM 1213 NE ARG A 49 3.195 -9.318 5.578 1.00 0.00 N ATOM 1214 CZ ARG A 49 4.085 -9.577 6.501 1.00 0.00 C ATOM 1215 NH1 ARG A 49 5.094 -8.764 6.686 1.00 0.00 N ATOM 1216 NH2 ARG A 49 3.954 -10.638 7.257 1.00 0.00 N ATOM 0 H ARG A 49 2.368 -9.479 2.413 1.00 0.00 H new ATOM 0 HA ARG A 49 2.055 -6.527 1.829 1.00 0.00 H new ATOM 0 HB2 ARG A 49 3.732 -7.797 4.030 1.00 0.00 H new ATOM 0 HB3 ARG A 49 2.981 -6.214 4.016 1.00 0.00 H new ATOM 0 HG2 ARG A 49 0.872 -7.046 4.648 1.00 0.00 H new ATOM 0 HG3 ARG A 49 1.150 -8.617 3.923 1.00 0.00 H new ATOM 0 HD2 ARG A 49 2.397 -7.568 6.526 1.00 0.00 H new ATOM 0 HD3 ARG A 49 1.252 -8.886 6.374 1.00 0.00 H new ATOM 0 HE ARG A 49 3.267 -9.759 4.661 1.00 0.00 H new ATOM 0 HH11 ARG A 49 5.187 -7.927 6.110 1.00 0.00 H new ATOM 0 HH12 ARG A 49 5.787 -8.967 7.406 1.00 0.00 H new ATOM 0 HH21 ARG A 49 3.158 -11.262 7.126 1.00 0.00 H new ATOM 0 HH22 ARG A 49 4.648 -10.840 7.977 1.00 0.00 H new ATOM 1230 N GLY A 50 4.082 -7.990 0.371 1.00 0.00 N ATOM 1231 CA GLY A 50 5.391 -8.040 -0.337 1.00 0.00 C ATOM 1232 C GLY A 50 5.156 -8.130 -1.845 1.00 0.00 C ATOM 1233 O GLY A 50 4.421 -8.981 -2.298 1.00 0.00 O ATOM 0 H GLY A 50 3.310 -8.456 -0.106 1.00 0.00 H new ATOM 0 HA2 GLY A 50 5.977 -7.151 -0.103 1.00 0.00 H new ATOM 0 HA3 GLY A 50 5.967 -8.900 0.003 1.00 0.00 H new ATOM 1237 N PRO A 51 5.806 -7.262 -2.583 1.00 0.00 N ATOM 1238 CA PRO A 51 6.697 -6.238 -1.994 1.00 0.00 C ATOM 1239 C PRO A 51 5.951 -4.940 -1.670 1.00 0.00 C ATOM 1240 O PRO A 51 5.133 -4.459 -2.437 1.00 0.00 O ATOM 1241 CB PRO A 51 7.714 -5.986 -3.093 1.00 0.00 C ATOM 1242 CG PRO A 51 7.029 -6.362 -4.371 1.00 0.00 C ATOM 1243 CD PRO A 51 5.792 -7.170 -4.036 1.00 0.00 C ATOM 0 HA PRO A 51 7.131 -6.571 -1.051 1.00 0.00 H new ATOM 0 HB2 PRO A 51 8.024 -4.941 -3.108 1.00 0.00 H new ATOM 0 HB3 PRO A 51 8.613 -6.583 -2.940 1.00 0.00 H new ATOM 0 HG2 PRO A 51 6.757 -5.468 -4.932 1.00 0.00 H new ATOM 0 HG3 PRO A 51 7.700 -6.943 -5.004 1.00 0.00 H new ATOM 0 HD2 PRO A 51 4.887 -6.680 -4.395 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.824 -8.157 -4.498 1.00 0.00 H new ATOM 1251 N CYS A 52 6.264 -4.362 -0.552 1.00 0.00 N ATOM 1252 CA CYS A 52 5.640 -3.068 -0.147 1.00 0.00 C ATOM 1253 C CYS A 52 6.539 -1.918 -0.587 1.00 0.00 C ATOM 1254 O CYS A 52 7.749 -2.061 -0.637 1.00 0.00 O ATOM 1255 CB CYS A 52 5.563 -3.103 1.383 1.00 0.00 C ATOM 1256 SG CYS A 52 3.848 -3.326 1.921 1.00 0.00 S ATOM 0 H CYS A 52 6.939 -4.735 0.116 1.00 0.00 H new ATOM 0 HA CYS A 52 4.657 -2.929 -0.597 1.00 0.00 H new ATOM 0 HB2 CYS A 52 6.180 -3.915 1.766 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.963 -2.177 1.795 1.00 0.00 H new ATOM 1261 N TRP A 53 5.986 -0.772 -0.864 1.00 0.00 N ATOM 1262 CA TRP A 53 6.855 0.380 -1.251 1.00 0.00 C ATOM 1263 C TRP A 53 6.279 1.711 -0.747 1.00 0.00 C ATOM 1264 O TRP A 53 5.089 1.840 -0.458 1.00 0.00 O ATOM 1265 CB TRP A 53 7.037 0.317 -2.782 1.00 0.00 C ATOM 1266 CG TRP A 53 5.826 0.764 -3.539 1.00 0.00 C ATOM 1267 CD1 TRP A 53 5.466 2.050 -3.747 1.00 0.00 C ATOM 1268 CD2 TRP A 53 4.843 -0.054 -4.239 1.00 0.00 C ATOM 1269 NE1 TRP A 53 4.320 2.073 -4.521 1.00 0.00 N ATOM 1270 CE2 TRP A 53 3.894 0.802 -4.843 1.00 0.00 C ATOM 1271 CE3 TRP A 53 4.678 -1.443 -4.394 1.00 0.00 C ATOM 1272 CZ2 TRP A 53 2.825 0.299 -5.588 1.00 0.00 C ATOM 1273 CZ3 TRP A 53 3.604 -1.954 -5.140 1.00 0.00 C ATOM 1274 CH2 TRP A 53 2.675 -1.083 -5.732 1.00 0.00 C ATOM 0 H TRP A 53 4.984 -0.581 -0.841 1.00 0.00 H new ATOM 0 HA TRP A 53 7.835 0.316 -0.778 1.00 0.00 H new ATOM 0 HB2 TRP A 53 7.885 0.939 -3.066 1.00 0.00 H new ATOM 0 HB3 TRP A 53 7.281 -0.705 -3.071 1.00 0.00 H new ATOM 0 HD1 TRP A 53 5.988 2.917 -3.371 1.00 0.00 H new ATOM 0 HE1 TRP A 53 3.847 2.927 -4.818 1.00 0.00 H new ATOM 0 HE3 TRP A 53 5.383 -2.121 -3.936 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 2.119 0.973 -6.050 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 3.492 -3.022 -5.259 1.00 0.00 H new ATOM 0 HH2 TRP A 53 1.846 -1.481 -6.298 1.00 0.00 H new ATOM 1285 N CYS A 54 7.153 2.675 -0.591 1.00 0.00 N ATOM 1286 CA CYS A 54 6.779 4.023 -0.053 1.00 0.00 C ATOM 1287 C CYS A 54 6.148 4.887 -1.147 1.00 0.00 C ATOM 1288 O CYS A 54 6.586 4.865 -2.283 1.00 0.00 O ATOM 1289 CB CYS A 54 8.125 4.610 0.404 1.00 0.00 C ATOM 1290 SG CYS A 54 7.875 6.203 1.220 1.00 0.00 S ATOM 0 H CYS A 54 8.142 2.581 -0.822 1.00 0.00 H new ATOM 0 HA CYS A 54 6.043 3.975 0.750 1.00 0.00 H new ATOM 0 HB2 CYS A 54 8.617 3.918 1.087 1.00 0.00 H new ATOM 0 HB3 CYS A 54 8.785 4.734 -0.455 1.00 0.00 H new ATOM 1295 N VAL A 55 5.123 5.648 -0.830 1.00 0.00 N ATOM 1296 CA VAL A 55 4.480 6.488 -1.896 1.00 0.00 C ATOM 1297 C VAL A 55 4.035 7.855 -1.372 1.00 0.00 C ATOM 1298 O VAL A 55 3.992 8.092 -0.181 1.00 0.00 O ATOM 1299 CB VAL A 55 3.255 5.694 -2.359 1.00 0.00 C ATOM 1300 CG1 VAL A 55 3.665 4.265 -2.713 1.00 0.00 C ATOM 1301 CG2 VAL A 55 2.205 5.667 -1.244 1.00 0.00 C ATOM 0 H VAL A 55 4.711 5.724 0.100 1.00 0.00 H new ATOM 0 HA VAL A 55 5.190 6.686 -2.699 1.00 0.00 H new ATOM 0 HB VAL A 55 2.832 6.174 -3.242 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.789 3.706 -3.041 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.403 4.286 -3.515 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.096 3.782 -1.836 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.335 5.101 -1.577 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.628 5.194 -0.358 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.904 6.687 -1.003 1.00 0.00 H new ATOM 1311 N ASP A 56 3.688 8.740 -2.273 1.00 0.00 N ATOM 1312 CA ASP A 56 3.207 10.087 -1.880 1.00 0.00 C ATOM 1313 C ASP A 56 1.685 10.035 -1.729 1.00 0.00 C ATOM 1314 O ASP A 56 1.077 9.005 -1.918 1.00 0.00 O ATOM 1315 CB ASP A 56 3.623 11.034 -3.021 1.00 0.00 C ATOM 1316 CG ASP A 56 2.598 10.992 -4.158 1.00 0.00 C ATOM 1317 OD1 ASP A 56 2.447 9.947 -4.765 1.00 0.00 O ATOM 1318 OD2 ASP A 56 1.977 12.010 -4.404 1.00 0.00 O ATOM 0 H ASP A 56 3.721 8.577 -3.279 1.00 0.00 H new ATOM 0 HA ASP A 56 3.625 10.429 -0.933 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.712 12.052 -2.642 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.605 10.748 -3.399 1.00 0.00 H new ATOM 1323 N ARG A 57 1.085 11.138 -1.392 1.00 0.00 N ATOM 1324 CA ARG A 57 -0.414 11.197 -1.208 1.00 0.00 C ATOM 1325 C ARG A 57 -1.181 10.581 -2.398 1.00 0.00 C ATOM 1326 O ARG A 57 -2.323 10.179 -2.257 1.00 0.00 O ATOM 1327 CB ARG A 57 -0.738 12.693 -1.068 1.00 0.00 C ATOM 1328 CG ARG A 57 -0.264 13.461 -2.308 1.00 0.00 C ATOM 1329 CD ARG A 57 0.329 14.814 -1.888 1.00 0.00 C ATOM 1330 NE ARG A 57 1.796 14.698 -2.139 1.00 0.00 N ATOM 1331 CZ ARG A 57 2.319 15.263 -3.195 1.00 0.00 C ATOM 1332 NH1 ARG A 57 2.618 16.536 -3.172 1.00 0.00 N ATOM 1333 NH2 ARG A 57 2.538 14.550 -4.268 1.00 0.00 N ATOM 0 H ARG A 57 1.566 12.023 -1.230 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.722 10.616 -0.339 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -1.812 12.828 -0.937 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -0.255 13.094 -0.177 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.484 12.877 -2.845 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -1.099 13.616 -2.992 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -0.105 15.630 -2.466 1.00 0.00 H new ATOM 0 HD3 ARG A 57 0.125 15.023 -0.838 1.00 0.00 H new ATOM 0 HE ARG A 57 2.388 14.180 -1.489 1.00 0.00 H new ATOM 0 HH11 ARG A 57 2.443 17.086 -2.331 1.00 0.00 H new ATOM 0 HH12 ARG A 57 3.026 16.979 -3.995 1.00 0.00 H new ATOM 0 HH21 ARG A 57 2.301 13.558 -4.278 1.00 0.00 H new ATOM 0 HH22 ARG A 57 2.946 14.986 -5.095 1.00 0.00 H new ATOM 1347 N MET A 58 -0.585 10.509 -3.559 1.00 0.00 N ATOM 1348 CA MET A 58 -1.296 9.914 -4.733 1.00 0.00 C ATOM 1349 C MET A 58 -1.047 8.400 -4.803 1.00 0.00 C ATOM 1350 O MET A 58 -1.783 7.677 -5.450 1.00 0.00 O ATOM 1351 CB MET A 58 -0.703 10.613 -5.960 1.00 0.00 C ATOM 1352 CG MET A 58 -0.865 12.133 -5.822 1.00 0.00 C ATOM 1353 SD MET A 58 -2.083 12.724 -7.023 1.00 0.00 S ATOM 1354 CE MET A 58 -3.551 12.109 -6.163 1.00 0.00 C ATOM 0 H MET A 58 0.363 10.836 -3.747 1.00 0.00 H new ATOM 0 HA MET A 58 -2.375 10.053 -4.668 1.00 0.00 H new ATOM 0 HB2 MET A 58 0.352 10.358 -6.060 1.00 0.00 H new ATOM 0 HB3 MET A 58 -1.202 10.266 -6.864 1.00 0.00 H new ATOM 0 HG2 MET A 58 -1.185 12.385 -4.811 1.00 0.00 H new ATOM 0 HG3 MET A 58 0.092 12.628 -5.986 1.00 0.00 H new ATOM 0 HE1 MET A 58 -4.436 12.621 -6.541 1.00 0.00 H new ATOM 0 HE2 MET A 58 -3.651 11.037 -6.335 1.00 0.00 H new ATOM 0 HE3 MET A 58 -3.452 12.297 -5.094 1.00 0.00 H new ATOM 1364 N GLY A 59 -0.031 7.912 -4.139 1.00 0.00 N ATOM 1365 CA GLY A 59 0.253 6.444 -4.161 1.00 0.00 C ATOM 1366 C GLY A 59 1.421 6.124 -5.105 1.00 0.00 C ATOM 1367 O GLY A 59 1.702 4.967 -5.373 1.00 0.00 O ATOM 0 H GLY A 59 0.617 8.468 -3.581 1.00 0.00 H new ATOM 0 HA2 GLY A 59 0.490 6.101 -3.154 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.637 5.902 -4.481 1.00 0.00 H new ATOM 1371 N LYS A 60 2.110 7.120 -5.608 1.00 0.00 N ATOM 1372 CA LYS A 60 3.251 6.867 -6.522 1.00 0.00 C ATOM 1373 C LYS A 60 4.526 6.638 -5.700 1.00 0.00 C ATOM 1374 O LYS A 60 4.705 7.243 -4.661 1.00 0.00 O ATOM 1375 CB LYS A 60 3.338 8.163 -7.335 1.00 0.00 C ATOM 1376 CG LYS A 60 4.719 8.305 -7.959 1.00 0.00 C ATOM 1377 CD LYS A 60 5.263 9.717 -7.700 1.00 0.00 C ATOM 1378 CE LYS A 60 6.505 9.960 -8.575 1.00 0.00 C ATOM 1379 NZ LYS A 60 7.659 9.467 -7.768 1.00 0.00 N ATOM 0 H LYS A 60 1.923 8.105 -5.418 1.00 0.00 H new ATOM 0 HA LYS A 60 3.130 5.986 -7.153 1.00 0.00 H new ATOM 0 HB2 LYS A 60 2.577 8.162 -8.116 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.133 9.018 -6.691 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.396 7.562 -7.539 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.665 8.117 -9.031 1.00 0.00 H new ATOM 0 HD2 LYS A 60 4.497 10.459 -7.924 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.520 9.831 -6.647 1.00 0.00 H new ATOM 0 HE2 LYS A 60 6.430 9.425 -9.522 1.00 0.00 H new ATOM 0 HE3 LYS A 60 6.616 11.017 -8.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 8.513 9.443 -8.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 7.816 10.104 -6.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 7.454 8.509 -7.418 1.00 0.00 H new ATOM 1393 N SER A 61 5.415 5.784 -6.157 1.00 0.00 N ATOM 1394 CA SER A 61 6.683 5.543 -5.397 1.00 0.00 C ATOM 1395 C SER A 61 7.301 6.891 -5.011 1.00 0.00 C ATOM 1396 O SER A 61 7.702 7.669 -5.860 1.00 0.00 O ATOM 1397 CB SER A 61 7.596 4.771 -6.353 1.00 0.00 C ATOM 1398 OG SER A 61 6.905 3.619 -6.833 1.00 0.00 O ATOM 0 H SER A 61 5.317 5.247 -7.019 1.00 0.00 H new ATOM 0 HA SER A 61 6.523 4.982 -4.476 1.00 0.00 H new ATOM 0 HB2 SER A 61 7.890 5.407 -7.188 1.00 0.00 H new ATOM 0 HB3 SER A 61 8.511 4.474 -5.841 1.00 0.00 H new ATOM 0 HG SER A 61 7.485 3.122 -7.447 1.00 0.00 H new ATOM 1404 N LEU A 62 7.334 7.185 -3.742 1.00 0.00 N ATOM 1405 CA LEU A 62 7.870 8.500 -3.275 1.00 0.00 C ATOM 1406 C LEU A 62 9.396 8.641 -3.404 1.00 0.00 C ATOM 1407 O LEU A 62 9.857 9.729 -3.689 1.00 0.00 O ATOM 1408 CB LEU A 62 7.470 8.619 -1.806 1.00 0.00 C ATOM 1409 CG LEU A 62 6.591 9.859 -1.627 1.00 0.00 C ATOM 1410 CD1 LEU A 62 6.364 10.121 -0.140 1.00 0.00 C ATOM 1411 CD2 LEU A 62 7.263 11.085 -2.257 1.00 0.00 C ATOM 0 H LEU A 62 7.010 6.566 -2.999 1.00 0.00 H new ATOM 0 HA LEU A 62 7.457 9.289 -3.903 1.00 0.00 H new ATOM 0 HB2 LEU A 62 6.930 7.726 -1.489 1.00 0.00 H new ATOM 0 HB3 LEU A 62 8.358 8.694 -1.179 1.00 0.00 H new ATOM 0 HG LEU A 62 5.635 9.681 -2.120 1.00 0.00 H new ATOM 0 HD11 LEU A 62 5.738 11.005 -0.018 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.869 9.260 0.310 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.323 10.285 0.351 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.626 11.959 -2.122 1.00 0.00 H new ATOM 0 HD22 LEU A 62 8.225 11.260 -1.776 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.416 10.909 -3.322 1.00 0.00 H new ATOM 1423 N PRO A 63 10.151 7.584 -3.181 1.00 0.00 N ATOM 1424 CA PRO A 63 11.634 7.708 -3.268 1.00 0.00 C ATOM 1425 C PRO A 63 12.076 8.160 -4.661 1.00 0.00 C ATOM 1426 O PRO A 63 13.038 8.892 -4.803 1.00 0.00 O ATOM 1427 CB PRO A 63 12.136 6.307 -2.925 1.00 0.00 C ATOM 1428 CG PRO A 63 10.982 5.407 -3.205 1.00 0.00 C ATOM 1429 CD PRO A 63 9.749 6.202 -2.857 1.00 0.00 C ATOM 0 HA PRO A 63 12.038 8.464 -2.595 1.00 0.00 H new ATOM 0 HB2 PRO A 63 13.002 6.039 -3.530 1.00 0.00 H new ATOM 0 HB3 PRO A 63 12.444 6.242 -1.881 1.00 0.00 H new ATOM 0 HG2 PRO A 63 10.969 5.102 -4.251 1.00 0.00 H new ATOM 0 HG3 PRO A 63 11.042 4.497 -2.608 1.00 0.00 H new ATOM 0 HD2 PRO A 63 8.885 5.885 -3.440 1.00 0.00 H new ATOM 0 HD3 PRO A 63 9.481 6.094 -1.806 1.00 0.00 H new ATOM 1437 N GLY A 64 11.387 7.737 -5.680 1.00 0.00 N ATOM 1438 CA GLY A 64 11.765 8.150 -7.064 1.00 0.00 C ATOM 1439 C GLY A 64 10.944 9.375 -7.494 1.00 0.00 C ATOM 1440 O GLY A 64 10.330 9.371 -8.543 1.00 0.00 O ATOM 0 H GLY A 64 10.576 7.122 -5.618 1.00 0.00 H new ATOM 0 HA2 GLY A 64 12.829 8.384 -7.104 1.00 0.00 H new ATOM 0 HA3 GLY A 64 11.593 7.326 -7.757 1.00 0.00 H new ATOM 1444 N SER A 65 10.924 10.423 -6.708 1.00 0.00 N ATOM 1445 CA SER A 65 10.146 11.637 -7.112 1.00 0.00 C ATOM 1446 C SER A 65 11.083 12.841 -7.269 1.00 0.00 C ATOM 1447 O SER A 65 11.590 13.352 -6.292 1.00 0.00 O ATOM 1448 CB SER A 65 9.152 11.885 -5.978 1.00 0.00 C ATOM 1449 OG SER A 65 8.398 10.701 -5.748 1.00 0.00 O ATOM 0 H SER A 65 11.407 10.492 -5.812 1.00 0.00 H new ATOM 0 HA SER A 65 9.642 11.493 -8.068 1.00 0.00 H new ATOM 0 HB2 SER A 65 9.682 12.174 -5.071 1.00 0.00 H new ATOM 0 HB3 SER A 65 8.487 12.709 -6.235 1.00 0.00 H new ATOM 0 HG SER A 65 8.873 10.130 -5.109 1.00 0.00 H new ATOM 1455 N PRO A 66 11.271 13.269 -8.491 1.00 0.00 N ATOM 1456 CA PRO A 66 12.143 14.441 -8.757 1.00 0.00 C ATOM 1457 C PRO A 66 11.464 15.743 -8.316 1.00 0.00 C ATOM 1458 O PRO A 66 12.112 16.755 -8.126 1.00 0.00 O ATOM 1459 CB PRO A 66 12.348 14.404 -10.269 1.00 0.00 C ATOM 1460 CG PRO A 66 11.167 13.659 -10.809 1.00 0.00 C ATOM 1461 CD PRO A 66 10.700 12.715 -9.730 1.00 0.00 C ATOM 0 HA PRO A 66 13.083 14.404 -8.207 1.00 0.00 H new ATOM 0 HB2 PRO A 66 12.401 15.411 -10.684 1.00 0.00 H new ATOM 0 HB3 PRO A 66 13.281 13.903 -10.527 1.00 0.00 H new ATOM 0 HG2 PRO A 66 10.371 14.350 -11.086 1.00 0.00 H new ATOM 0 HG3 PRO A 66 11.439 13.109 -11.710 1.00 0.00 H new ATOM 0 HD2 PRO A 66 9.612 12.672 -9.682 1.00 0.00 H new ATOM 0 HD3 PRO A 66 11.051 11.699 -9.911 1.00 0.00 H new ATOM 1469 N ASP A 67 10.166 15.723 -8.151 1.00 0.00 N ATOM 1470 CA ASP A 67 9.443 16.957 -7.721 1.00 0.00 C ATOM 1471 C ASP A 67 9.758 17.299 -6.257 1.00 0.00 C ATOM 1472 O ASP A 67 9.375 18.345 -5.771 1.00 0.00 O ATOM 1473 CB ASP A 67 7.952 16.633 -7.883 1.00 0.00 C ATOM 1474 CG ASP A 67 7.150 17.930 -7.954 1.00 0.00 C ATOM 1475 OD1 ASP A 67 7.383 18.701 -8.868 1.00 0.00 O ATOM 1476 OD2 ASP A 67 6.306 18.131 -7.101 1.00 0.00 O ATOM 0 H ASP A 67 9.575 14.904 -8.296 1.00 0.00 H new ATOM 0 HA ASP A 67 9.743 17.821 -8.314 1.00 0.00 H new ATOM 0 HB2 ASP A 67 7.793 16.046 -8.788 1.00 0.00 H new ATOM 0 HB3 ASP A 67 7.608 16.027 -7.045 1.00 0.00 H new ATOM 1481 N GLY A 68 10.447 16.441 -5.543 1.00 0.00 N ATOM 1482 CA GLY A 68 10.761 16.747 -4.123 1.00 0.00 C ATOM 1483 C GLY A 68 10.347 15.567 -3.250 1.00 0.00 C ATOM 1484 O GLY A 68 9.251 15.047 -3.373 1.00 0.00 O ATOM 0 H GLY A 68 10.801 15.548 -5.885 1.00 0.00 H new ATOM 0 HA2 GLY A 68 11.827 16.943 -4.008 1.00 0.00 H new ATOM 0 HA3 GLY A 68 10.236 17.649 -3.809 1.00 0.00 H new ATOM 1488 N ASN A 69 11.212 15.142 -2.369 1.00 0.00 N ATOM 1489 CA ASN A 69 10.880 13.990 -1.474 1.00 0.00 C ATOM 1490 C ASN A 69 9.769 14.397 -0.505 1.00 0.00 C ATOM 1491 O ASN A 69 10.007 15.066 0.486 1.00 0.00 O ATOM 1492 CB ASN A 69 12.166 13.675 -0.701 1.00 0.00 C ATOM 1493 CG ASN A 69 11.953 12.419 0.150 1.00 0.00 C ATOM 1494 OD1 ASN A 69 11.555 12.508 1.294 1.00 0.00 O ATOM 1495 ND2 ASN A 69 12.200 11.247 -0.363 1.00 0.00 N ATOM 0 H ASN A 69 12.139 15.543 -2.228 1.00 0.00 H new ATOM 0 HA ASN A 69 10.531 13.124 -2.037 1.00 0.00 H new ATOM 0 HB2 ASN A 69 12.992 13.522 -1.395 1.00 0.00 H new ATOM 0 HB3 ASN A 69 12.437 14.517 -0.064 1.00 0.00 H new ATOM 0 HD21 ASN A 69 12.059 10.406 0.196 1.00 0.00 H new ATOM 0 HD22 ASN A 69 12.534 11.171 -1.324 1.00 0.00 H new ATOM 1502 N GLY A 70 8.559 14.005 -0.788 1.00 0.00 N ATOM 1503 CA GLY A 70 7.420 14.367 0.103 1.00 0.00 C ATOM 1504 C GLY A 70 7.374 13.408 1.289 1.00 0.00 C ATOM 1505 O GLY A 70 6.446 12.635 1.435 1.00 0.00 O ATOM 0 H GLY A 70 8.308 13.446 -1.603 1.00 0.00 H new ATOM 0 HA2 GLY A 70 7.532 15.392 0.455 1.00 0.00 H new ATOM 0 HA3 GLY A 70 6.483 14.321 -0.451 1.00 0.00 H new ATOM 1509 N SER A 71 8.363 13.459 2.140 1.00 0.00 N ATOM 1510 CA SER A 71 8.388 12.553 3.329 1.00 0.00 C ATOM 1511 C SER A 71 7.076 12.678 4.125 1.00 0.00 C ATOM 1512 O SER A 71 6.658 11.744 4.789 1.00 0.00 O ATOM 1513 CB SER A 71 9.586 13.017 4.171 1.00 0.00 C ATOM 1514 OG SER A 71 10.538 13.688 3.337 1.00 0.00 O ATOM 0 H SER A 71 9.159 14.092 2.064 1.00 0.00 H new ATOM 0 HA SER A 71 8.482 11.505 3.043 1.00 0.00 H new ATOM 0 HB2 SER A 71 9.248 13.686 4.963 1.00 0.00 H new ATOM 0 HB3 SER A 71 10.054 12.160 4.656 1.00 0.00 H new ATOM 0 HG SER A 71 10.793 13.102 2.594 1.00 0.00 H new ATOM 1520 N SER A 72 6.415 13.812 4.047 1.00 0.00 N ATOM 1521 CA SER A 72 5.117 14.001 4.774 1.00 0.00 C ATOM 1522 C SER A 72 4.140 12.887 4.389 1.00 0.00 C ATOM 1523 O SER A 72 3.356 12.431 5.200 1.00 0.00 O ATOM 1524 CB SER A 72 4.579 15.358 4.304 1.00 0.00 C ATOM 1525 OG SER A 72 5.633 16.111 3.707 1.00 0.00 O ATOM 0 H SER A 72 6.723 14.620 3.506 1.00 0.00 H new ATOM 0 HA SER A 72 5.245 13.969 5.856 1.00 0.00 H new ATOM 0 HB2 SER A 72 3.772 15.211 3.586 1.00 0.00 H new ATOM 0 HB3 SER A 72 4.160 15.906 5.148 1.00 0.00 H new ATOM 0 HG SER A 72 5.287 16.977 3.406 1.00 0.00 H new ATOM 1531 N SER A 73 4.188 12.438 3.162 1.00 0.00 N ATOM 1532 CA SER A 73 3.278 11.342 2.733 1.00 0.00 C ATOM 1533 C SER A 73 3.864 10.005 3.188 1.00 0.00 C ATOM 1534 O SER A 73 3.209 9.212 3.834 1.00 0.00 O ATOM 1535 CB SER A 73 3.224 11.415 1.204 1.00 0.00 C ATOM 1536 OG SER A 73 3.122 12.775 0.786 1.00 0.00 O ATOM 0 H SER A 73 4.819 12.785 2.440 1.00 0.00 H new ATOM 0 HA SER A 73 2.280 11.436 3.162 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.118 10.961 0.778 1.00 0.00 H new ATOM 0 HB3 SER A 73 2.371 10.847 0.834 1.00 0.00 H new ATOM 0 HG SER A 73 3.090 12.815 -0.193 1.00 0.00 H new ATOM 1542 N CYS A 74 5.102 9.760 2.857 1.00 0.00 N ATOM 1543 CA CYS A 74 5.756 8.484 3.268 1.00 0.00 C ATOM 1544 C CYS A 74 7.281 8.669 3.315 1.00 0.00 C ATOM 1545 O CYS A 74 7.851 9.262 2.417 1.00 0.00 O ATOM 1546 CB CYS A 74 5.353 7.483 2.183 1.00 0.00 C ATOM 1547 SG CYS A 74 6.265 5.940 2.405 1.00 0.00 S ATOM 0 H CYS A 74 5.692 10.392 2.316 1.00 0.00 H new ATOM 0 HA CYS A 74 5.454 8.149 4.260 1.00 0.00 H new ATOM 0 HB2 CYS A 74 4.281 7.293 2.231 1.00 0.00 H new ATOM 0 HB3 CYS A 74 5.559 7.899 1.197 1.00 0.00 H new ATOM 1552 N PRO A 75 7.898 8.162 4.358 1.00 0.00 N ATOM 1553 CA PRO A 75 9.363 8.275 4.502 1.00 0.00 C ATOM 1554 C PRO A 75 10.079 7.112 3.790 1.00 0.00 C ATOM 1555 O PRO A 75 10.592 7.276 2.701 1.00 0.00 O ATOM 1556 CB PRO A 75 9.567 8.231 6.016 1.00 0.00 C ATOM 1557 CG PRO A 75 8.363 7.523 6.576 1.00 0.00 C ATOM 1558 CD PRO A 75 7.307 7.448 5.493 1.00 0.00 C ATOM 0 HA PRO A 75 9.776 9.177 4.050 1.00 0.00 H new ATOM 0 HB2 PRO A 75 10.485 7.701 6.271 1.00 0.00 H new ATOM 0 HB3 PRO A 75 9.655 9.237 6.427 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.634 6.522 6.912 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.978 8.058 7.445 1.00 0.00 H new ATOM 0 HD2 PRO A 75 7.075 6.415 5.235 1.00 0.00 H new ATOM 0 HD3 PRO A 75 6.375 7.914 5.814 1.00 0.00 H new ATOM 1566 N THR A 76 10.124 5.946 4.389 1.00 0.00 N ATOM 1567 CA THR A 76 10.819 4.788 3.739 1.00 0.00 C ATOM 1568 C THR A 76 9.915 3.543 3.703 1.00 0.00 C ATOM 1569 O THR A 76 10.384 2.423 3.770 1.00 0.00 O ATOM 1570 CB THR A 76 12.066 4.520 4.595 1.00 0.00 C ATOM 1571 OG1 THR A 76 12.244 5.555 5.561 1.00 0.00 O ATOM 1572 CG2 THR A 76 13.290 4.460 3.683 1.00 0.00 C ATOM 0 H THR A 76 9.710 5.745 5.299 1.00 0.00 H new ATOM 0 HA THR A 76 11.075 5.014 2.704 1.00 0.00 H new ATOM 0 HB THR A 76 11.940 3.573 5.120 1.00 0.00 H new ATOM 0 HG1 THR A 76 13.042 5.367 6.098 1.00 0.00 H new ATOM 0 HG21 THR A 76 14.181 4.270 4.282 1.00 0.00 H new ATOM 0 HG22 THR A 76 13.163 3.658 2.956 1.00 0.00 H new ATOM 0 HG23 THR A 76 13.400 5.410 3.159 1.00 0.00 H new ATOM 1580 N GLY A 77 8.629 3.728 3.582 1.00 0.00 N ATOM 1581 CA GLY A 77 7.702 2.559 3.524 1.00 0.00 C ATOM 1582 C GLY A 77 7.310 2.129 4.942 1.00 0.00 C ATOM 1583 O GLY A 77 8.155 1.822 5.762 1.00 0.00 O ATOM 0 H GLY A 77 8.178 4.641 3.521 1.00 0.00 H new ATOM 0 HA2 GLY A 77 6.810 2.820 2.955 1.00 0.00 H new ATOM 0 HA3 GLY A 77 8.181 1.730 3.003 1.00 0.00 H new ATOM 1587 N SER A 78 6.035 2.108 5.237 1.00 0.00 N ATOM 1588 CA SER A 78 5.576 1.697 6.603 1.00 0.00 C ATOM 1589 C SER A 78 5.700 0.179 6.770 1.00 0.00 C ATOM 1590 O SER A 78 5.567 -0.571 5.819 1.00 0.00 O ATOM 1591 CB SER A 78 4.102 2.109 6.683 1.00 0.00 C ATOM 1592 OG SER A 78 3.901 3.335 5.980 1.00 0.00 O ATOM 0 H SER A 78 5.288 2.358 4.589 1.00 0.00 H new ATOM 0 HA SER A 78 6.175 2.164 7.385 1.00 0.00 H new ATOM 0 HB2 SER A 78 3.473 1.328 6.256 1.00 0.00 H new ATOM 0 HB3 SER A 78 3.804 2.224 7.725 1.00 0.00 H new ATOM 0 HG SER A 78 2.941 3.518 5.910 1.00 0.00 H new ATOM 1598 N SER A 79 5.935 -0.274 7.975 1.00 0.00 N ATOM 1599 CA SER A 79 6.052 -1.745 8.223 1.00 0.00 C ATOM 1600 C SER A 79 5.009 -2.186 9.260 1.00 0.00 C ATOM 1601 O SER A 79 5.232 -3.101 10.034 1.00 0.00 O ATOM 1602 CB SER A 79 7.470 -1.946 8.760 1.00 0.00 C ATOM 1603 OG SER A 79 8.406 -1.380 7.847 1.00 0.00 O ATOM 0 H SER A 79 6.051 0.313 8.801 1.00 0.00 H new ATOM 0 HA SER A 79 5.875 -2.335 7.324 1.00 0.00 H new ATOM 0 HB2 SER A 79 7.570 -1.476 9.739 1.00 0.00 H new ATOM 0 HB3 SER A 79 7.673 -3.009 8.894 1.00 0.00 H new ATOM 0 HG SER A 79 9.315 -1.506 8.190 1.00 0.00 H new ATOM 1609 N GLY A 80 3.873 -1.541 9.278 1.00 0.00 N ATOM 1610 CA GLY A 80 2.810 -1.904 10.255 1.00 0.00 C ATOM 1611 C GLY A 80 2.286 -0.630 10.915 1.00 0.00 C ATOM 1612 O GLY A 80 2.006 0.316 10.198 1.00 0.00 O ATOM 1613 OXT GLY A 80 2.182 -0.612 12.125 1.00 0.00 O ATOM 0 H GLY A 80 3.636 -0.772 8.651 1.00 0.00 H new ATOM 0 HA2 GLY A 80 1.998 -2.428 9.751 1.00 0.00 H new ATOM 0 HA3 GLY A 80 3.208 -2.583 11.009 1.00 0.00 H new TER 1617 GLY A 80